2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide

C21H31N3O2 — CID 28785398

IUPAC2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCCCC2)c1
InChIInChI=1S/C21H31N3O2/c22-20(25)15-19-10-3-6-13-24(19)21(26)18-9-7-8-17(14-18)16-23-11-4-1-2-5-12-23/h7-9,14,19H,1-6,10-13,15-16H2,(H2,22,25)/t19-/m1/s1
InChIKeyOCFDQVYULNBYEH-LJQANCHMSA-N
MW357.50 g/mol
LogP2.93
Rot. Bonds5

About 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide

2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide (PubChem CID 28785398) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
PubChem CID28785398
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCCCC2)c1
InChIInChI=1S/C21H31N3O2/c22-20(25)15-19-10-3-6-13-24(19)21(26)18-9-7-8-17(14-18)16-23-11-4-1-2-5-12-23/h7-9,14,19H,1-6,10-13,15-16H2,(H2,22,25)/t19-/m1/s1
InChIKeyOCFDQVYULNBYEH-LJQANCHMSA-N
XLogP2.93
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
[3-(aminomethyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633838
2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
CID 95293638
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119486463
1-[[3-[2-(2-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 154762151
3-(azepan-1-ylmethyl)benzoic acid;hydrochloride
CID 138113123
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 94818861
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide (CID 28785398) is 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1C(=O)c1cccc(CN2CCCCCC2)c1.
What is the InChIKey of 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide?
The InChIKey is OCFDQVYULNBYEH-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N3O2/c22-20(25)15-19-10-3-6-13-24(19)21(26)18-9-7-8-17(14-18)16-23-11-4-1-2-5-12-23/h7-9,14,19H,1-6,10-13,15-16H2,(H2,22,25)/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide?
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide is sourced from PubChem (CID 28785398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).