N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide

C21H34N4O — CID 122081130

IUPACN-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(CC(=O)N(Cc1ccccn1)C1CCCNCC1)C1CCCNC1
InChIInChI=1S/C21H34N4O/c1-17(18-6-4-11-23-15-18)14-21(26)25(16-19-7-2-3-12-24-19)20-8-5-10-22-13-9-20/h2-3,7,12,17-18,20,22-23H,4-6,8-11,13-16H2,1H3
InChIKeyBOTOYRGALUHDNY-UHFFFAOYSA-N
MW358.53 g/mol
LogP2.58
Rot. Bonds6

About N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide

N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide (PubChem CID 122081130) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
PubChem CID122081130
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
SMILESCC(CC(=O)N(Cc1ccccn1)C1CCCNCC1)C1CCCNC1
InChIInChI=1S/C21H34N4O/c1-17(18-6-4-11-23-15-18)14-21(26)25(16-19-7-2-3-12-24-19)20-8-5-10-22-13-9-20/h2-3,7,12,17-18,20,22-23H,4-6,8-11,13-16H2,1H3
InChIKeyBOTOYRGALUHDNY-UHFFFAOYSA-N
XLogP2.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-azepan-4-yl]-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 129398997
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-methyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 81043974
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpropanamide
CID 129008069
(2S)-N-[(4S)-azepan-4-yl]-N-(pyridin-2-ylmethyl)-2-thiophen-2-ylpropanamide
CID 129399057
N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 129008012
N-[(4S)-azepan-4-yl]-6-methyl-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 129399021
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
CID 120869661
N-ethyl-N-piperidin-3-yl-2-pyridin-2-ylacetamide
CID 55247016
N-(azepan-4-yl)-2-methoxy-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
CID 129006545
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119692017
N-[(4R)-azepan-4-yl]-3,5-dimethyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 129398986

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide?
The IUPAC name of N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide (CID 122081130) is N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide.
What is the SMILES notation for N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide?
The canonical SMILES for N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide is CC(CC(=O)N(Cc1ccccn1)C1CCCNCC1)C1CCCNC1.
What is the InChIKey of N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide?
The InChIKey is BOTOYRGALUHDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-17(18-6-4-11-23-15-18)14-21(26)25(16-19-7-2-3-12-24-19)20-8-5-10-22-13-9-20/h2-3,7,12,17-18,20,22-23H,4-6,8-11,13-16H2,1H3.
What are the key properties of N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide?
N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide has a molecular weight of 358.53 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide is sourced from PubChem (CID 122081130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).