1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide

C27H31N3O2 — CID 91955683

IUPAC1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H31N3O2/c31-25-14-13-24(30(25)18-20-17-28-23-12-6-5-11-22(20)23)26(32)29-19-27(15-7-2-8-16-27)21-9-3-1-4-10-21/h1,3-6,9-12,17,24,28H,2,7-8,13-16,18-19H2,(H,29,32)
InChIKeyJZPZJXDGFDNFSX-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.68
Rot. Bonds6

About 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide

1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 91955683) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
PubChem CID91955683
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCCCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C27H31N3O2/c31-25-14-13-24(30(25)18-20-17-28-23-12-6-5-11-22(20)23)26(32)29-19-27(15-7-2-8-16-27)21-9-3-1-4-10-21/h1,3-6,9-12,17,24,28H,2,7-8,13-16,18-19H2,(H,29,32)
InChIKeyJZPZJXDGFDNFSX-UHFFFAOYSA-N
XLogP4.68
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
CID 91957713
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955626
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596
N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955675
1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 91955666
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide (CID 91955683) is 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide is O=C(NCC1(c2ccccc2)CCCCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JZPZJXDGFDNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c31-25-14-13-24(30(25)18-20-17-28-23-12-6-5-11-22(20)23)26(32)29-19-27(15-7-2-8-16-27)21-9-3-1-4-10-21/h1,3-6,9-12,17,24,28H,2,7-8,13-16,18-19H2,(H,29,32).
What are the key properties of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide?
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 429.56 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91955683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).