3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide

C19H27N3O2 — CID 136522919

IUPAC3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCCC(c3ccccc3)CC2)C1
InChIInChI=1S/C19H27N3O2/c20-19(24)22-12-5-9-17(14-22)18(23)21-11-4-8-16(10-13-21)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H2,20,24)
InChIKeyKYBJDFPEJJTRON-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.57
Rot. Bonds2

About 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide

3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide (PubChem CID 136522919) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
PubChem CID136522919
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(C(=O)N2CCCC(c3ccccc3)CC2)C1
InChIInChI=1S/C19H27N3O2/c20-19(24)22-12-5-9-17(14-22)18(23)21-11-4-8-16(10-13-21)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H2,20,24)
InChIKeyKYBJDFPEJJTRON-UHFFFAOYSA-N
XLogP2.57
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 134799195
(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119316139
(3S)-3-(3,3-diphenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97128394
(3R)-3-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidine-1-carboxamide
CID 51933994
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3S)-3-(4-methoxy-4-phenylpiperidine-1-carbonyl)piperidine-1-carboxamide
CID 97123681
(3S)-3-[4-[3-[benzyl(methyl)amino]-3-oxopropyl]piperidine-1-carbonyl]piperidine-1-carboxamide
CID 26393824
(1-aminocyclopropyl)-(4-phenylazepan-1-yl)methanone
CID 119770810
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
3-(3-hydroxypyrrolidine-1-carbonyl)piperidine-1-carboxamide
CID 62916410

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide (CID 136522919) is 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide is NC(=O)N1CCCC(C(=O)N2CCCC(c3ccccc3)CC2)C1.
What is the InChIKey of 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is KYBJDFPEJJTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c20-19(24)22-12-5-9-17(14-22)18(23)21-11-4-8-16(10-13-21)15-6-2-1-3-7-15/h1-3,6-7,16-17H,4-5,8-14H2,(H2,20,24).
What are the key properties of 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide?
3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylazepane-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 136522919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).