(2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide

C47H62ClN7O3 — CID 158824872

IUPAC(2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
SMILESN[C@@H](C(=O)NCC1CCN(C2CCCC2)CC1)c1ccccc1.O=C(N[C@@H](C(=O)NCC1CCN(C2CCCC2)CC1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C28H33ClN4O2.C19H29N3O/c29-22-10-11-24-21(16-22)17-25(31-24)27(34)32-26(20-6-2-1-3-7-20)28(35)30-18-19-12-14-33(15-13-19)23-8-4-5-9-23;20-18(16-6-2-1-3-7-16)19(23)21-14-15-10-12-22(13-11-15)17-8-4-5-9-17/h1-3,6-7,10-11,16-17,19,23,26,31H,4-5,8-9,12-15,18H2,(H,30,35)(H,32,34);1-3,6-7,15,17-18H,4-5,8-14,20H2,(H,21,23)/t26-;18-/m11/s1
InChIKeyIWIGALHDWVMXIR-UNROZKMPSA-N
MW808.51 g/mol
LogP7.52
Rot. Bonds12

About (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide

(2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide (PubChem CID 158824872) has the molecular formula C47H62ClN7O3 and a molecular weight of 808.51 g/mol. Its IUPAC name is (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
PubChem CID158824872
Molecular FormulaC47H62ClN7O3
Molecular Weight808.51 g/mol
Exact Mass807.46
IUPAC Name(2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide
SMILESN[C@@H](C(=O)NCC1CCN(C2CCCC2)CC1)c1ccccc1.O=C(N[C@@H](C(=O)NCC1CCN(C2CCCC2)CC1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C28H33ClN4O2.C19H29N3O/c29-22-10-11-24-21(16-22)17-25(31-24)27(34)32-26(20-6-2-1-3-7-20)28(35)30-18-19-12-14-33(15-13-19)23-8-4-5-9-23;20-18(16-6-2-1-3-7-16)19(23)21-14-15-10-12-22(13-11-15)17-8-4-5-9-17/h1-3,6-7,10-11,16-17,19,23,26,31H,4-5,8-9,12-15,18H2,(H,30,35)(H,32,34);1-3,6-7,15,17-18H,4-5,8-14,20H2,(H,21,23)/t26-;18-/m11/s1
InChIKeyIWIGALHDWVMXIR-UNROZKMPSA-N
XLogP7.52
TPSA135.59 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.51
LogP ≤ 57.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
5-chloro-N-[2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxoethyl]-N-[2-(trifluoromethyl)phenyl]-1H-indole-2-carboxamide
CID 22135140
5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
CID 7323927
5-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-phenylethyl]-1H-indole-2-carboxamide
CID 10368587
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
N-[1-(cyclohexylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 3618702
(3S)-3-amino-4-[(1-cyclopentylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 131947489
(2R)-2-amino-N-[(3-methylcyclohexyl)methyl]-2-phenylacetamide
CID 103795876
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
5-chloro-N-[(2R)-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1-oxobutan-2-yl]-1H-indole-2-carboxamide;hydrochloride
CID 69142306
5-chloro-N-[1-(2-chlorophenyl)-2-(piperidin-4-ylmethoxy)ethyl]-1H-indole-2-carboxamide
CID 69309648
5-chloro-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-1H-indole-2-carboxamide
CID 94006807

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide?
The IUPAC name of (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide (CID 158824872) is (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide?
The canonical SMILES for (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide is N[C@@H](C(=O)NCC1CCN(C2CCCC2)CC1)c1ccccc1.O=C(N[C@@H](C(=O)NCC1CCN(C2CCCC2)CC1)c1ccccc1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide?
The InChIKey is IWIGALHDWVMXIR-UNROZKMPSA-N. The full InChI is InChI=1S/C28H33ClN4O2.C19H29N3O/c29-22-10-11-24-21(16-22)17-25(31-24)27(34)32-26(20-6-2-1-3-7-20)28(35)30-18-19-12-14-33(15-13-19)23-8-4-5-9-23;20-18(16-6-2-1-3-7-16)19(23)21-14-15-10-12-22(13-11-15)17-8-4-5-9-17/h1-3,6-7,10-11,16-17,19,23,26,31H,4-5,8-9,12-15,18H2,(H,30,35)(H,32,34);1-3,6-7,15,17-18H,4-5,8-14,20H2,(H,21,23)/t26-;18-/m11/s1.
What are the key properties of (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide?
(2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide has a molecular weight of 808.51 g/mol, XLogP of 7.52, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-phenylacetamide;5-chloro-N-[(1R)-2-[(1-cyclopentylpiperidin-4-yl)methylamino]-2-oxo-1-phenylethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158824872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).