N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide

C17H30N4O2 — CID 128692366

IUPACN-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](NC(=O)N2CCCC(N3CCCC3)CC2)C1
InChIInChI=1S/C17H30N4O2/c18-16(22)13-5-6-14(12-13)19-17(23)21-10-3-4-15(7-11-21)20-8-1-2-9-20/h13-15H,1-12H2,(H2,18,22)(H,19,23)/t13-,14+,15?/m1/s1
InChIKeyYPYVHXODIAAISY-GNXJLENFSA-N
MW322.45 g/mol
LogP1.30
Rot. Bonds3

About N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide

N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide (PubChem CID 128692366) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
PubChem CID128692366
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](NC(=O)N2CCCC(N3CCCC3)CC2)C1
InChIInChI=1S/C17H30N4O2/c18-16(22)13-5-6-14(12-13)19-17(23)21-10-3-4-15(7-11-21)20-8-1-2-9-20/h13-15H,1-12H2,(H2,18,22)(H,19,23)/t13-,14+,15?/m1/s1
InChIKeyYPYVHXODIAAISY-GNXJLENFSA-N
XLogP1.30
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-piperidin-1-ylpiperidine-1-carboxamide
CID 23604706
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
N-cyclohexyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 49289387
N-(4-aminocyclohexyl)azepane-1-carboxamide
CID 79152451
N-(1-cyclopropylpyrrolidin-3-yl)azepane-1-carboxamide
CID 115629328
N-(1-cyclopentylpiperidin-4-yl)-4-(2-hydroxyethyl)azepane-1-carboxamide
CID 128867850
1-N-cyclopropylazetidine-1,3-dicarboxamide
CID 131048719
N-(3-aminocyclobutyl)pyrrolidine-1-carboxamide
CID 79161437
N-chloro-4-piperidin-1-ylpiperidine-1-carboxamide;hydrochloride
CID 87110465

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide?
The IUPAC name of N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide (CID 128692366) is N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide is NC(=O)[C@@H]1CC[C@H](NC(=O)N2CCCC(N3CCCC3)CC2)C1.
What is the InChIKey of N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide?
The InChIKey is YPYVHXODIAAISY-GNXJLENFSA-N. The full InChI is InChI=1S/C17H30N4O2/c18-16(22)13-5-6-14(12-13)19-17(23)21-10-3-4-15(7-11-21)20-8-1-2-9-20/h13-15H,1-12H2,(H2,18,22)(H,19,23)/t13-,14+,15?/m1/s1.
What are the key properties of N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide?
N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-carbamoylcyclopentyl]-4-pyrrolidin-1-ylazepane-1-carboxamide is sourced from PubChem (CID 128692366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).