(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide

C17H27N3O — CID 100681162

IUPAC(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCCC1)[C@@H]1CCCN1Cc1ccc[nH]1
InChIInChI=1S/C17H27N3O/c21-17(19-12-14-6-2-1-3-7-14)16-9-5-11-20(16)13-15-8-4-10-18-15/h4,8,10,14,16,18H,1-3,5-7,9,11-13H2,(H,19,21)/t16-/m0/s1
InChIKeyWEQVVJHNHPRLFH-INIZCTEOSA-N
MW289.42 g/mol
LogP2.68
Rot. Bonds5

About (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide

(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 100681162) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID100681162
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCCCC1)[C@@H]1CCCN1Cc1ccc[nH]1
InChIInChI=1S/C17H27N3O/c21-17(19-12-14-6-2-1-3-7-14)16-9-5-11-20(16)13-15-8-4-10-18-15/h4,8,10,14,16,18H,1-3,5-7,9,11-13H2,(H,19,21)/t16-/m0/s1
InChIKeyWEQVVJHNHPRLFH-INIZCTEOSA-N
XLogP2.68
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-1-(2-methylsulfonylethyl)pyrrolidine-2-carboxamide
CID 84590044
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 175401357
N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
CID 134802535
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 10071533
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
(2S)-N-(2,2-difluoroethyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-2-carboxamide
CID 154799506
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
CID 5188811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide (CID 100681162) is (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide is O=C(NCC1CCCCC1)[C@@H]1CCCN1Cc1ccc[nH]1.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is WEQVVJHNHPRLFH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(19-12-14-6-2-1-3-7-14)16-9-5-11-20(16)13-15-8-4-10-18-15/h4,8,10,14,16,18H,1-3,5-7,9,11-13H2,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide?
(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 100681162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).