(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide

C15H29N3O — CID 120632718

IUPAC(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCN2CCCCCC2)CCN1
InChIInChI=1S/C15H29N3O/c1-13-12-14(6-7-16-13)15(19)17-8-11-18-9-4-2-3-5-10-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyACSJBVOFUSFAQS-KBPBESRZSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds4

About (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120632718) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
PubChem CID120632718
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCCN2CCCCCC2)CCN1
InChIInChI=1S/C15H29N3O/c1-13-12-14(6-7-16-13)15(19)17-8-11-18-9-4-2-3-5-10-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-,14-/m0/s1
InChIKeyACSJBVOFUSFAQS-KBPBESRZSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 120621777
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 106740605
(2S,4S)-N-[3-(azepan-1-yl)-3-oxopropyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120629082
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
(2S,4S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632475
(2S,4S)-N-(2-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 120633867
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
3-amino-N-[2-(azepan-1-yl)ethyl]cyclopentane-1-carboxamide
CID 66008993
4-ethyl-N-(2-pyrrolidin-1-ylethyl)piperidine-2-carboxamide
CID 114428071
(2S,4S)-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120635653
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide (CID 120632718) is (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCCN2CCCCCC2)CCN1.
What is the InChIKey of (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is ACSJBVOFUSFAQS-KBPBESRZSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13-12-14(6-7-16-13)15(19)17-8-11-18-9-4-2-3-5-10-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[2-(azepan-1-yl)ethyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120632718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).