N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide

C27H35N5O3 — CID 55536071

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1)Nc1ccccc1
InChIInChI=1S/C27H35N5O3/c33-24(29-22-11-5-2-6-12-22)20-32-17-13-23(14-18-32)30-25(34)27(15-7-8-16-27)31-26(35)28-19-21-9-3-1-4-10-21/h1-6,9-12,23H,7-8,13-20H2,(H,29,33)(H,30,34)(H2,28,31,35)
InChIKeyTWLFBFRALONJEC-UHFFFAOYSA-N
MW477.61 g/mol
LogP3.02
Rot. Bonds8

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide (PubChem CID 55536071) has the molecular formula C27H35N5O3 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
PubChem CID55536071
Molecular FormulaC27H35N5O3
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide
SMILESO=C(CN1CCC(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1)Nc1ccccc1
InChIInChI=1S/C27H35N5O3/c33-24(29-22-11-5-2-6-12-22)20-32-17-13-23(14-18-32)30-25(34)27(15-7-8-16-27)31-26(35)28-19-21-9-3-1-4-10-21/h1-6,9-12,23H,7-8,13-20H2,(H,29,33)(H,30,34)(H2,28,31,35)
InChIKeyTWLFBFRALONJEC-UHFFFAOYSA-N
XLogP3.02
TPSA102.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzylcarbamoylamino)-N-pyrrolidin-3-ylcyclopentane-1-carboxamide
CID 119449553
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(benzylcarbamoylamino)-3-methylbutanamide
CID 55548209
cis-(1S,3R)-3-[[1-(benzylcarbamoylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676671
1-(benzylcarbamoylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 55967731
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 42047243
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclohexanecarboxamide
CID 3220728
N-phenyl-2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]piperidin-1-yl]acetamide
CID 55744540
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide
CID 86992700
N-[2-(aminomethyl)cyclopentyl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide;hydrochloride
CID 119600623

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide (CID 55536071) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide is O=C(CN1CCC(NC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide?
The InChIKey is TWLFBFRALONJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O3/c33-24(29-22-11-5-2-6-12-22)20-32-17-13-23(14-18-32)30-25(34)27(15-7-8-16-27)31-26(35)28-19-21-9-3-1-4-10-21/h1-6,9-12,23H,7-8,13-20H2,(H,29,33)(H,30,34)(H2,28,31,35).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 3.02, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(benzylcarbamoylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 55536071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).