azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone

C21H32N2O — CID 2930874

IUPACazepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CCCc2ccccc2)C1)N1CCCCCC1
InChIInChI=1S/C21H32N2O/c24-21(23-16-6-1-2-7-17-23)20-13-9-15-22(18-20)14-8-12-19-10-4-3-5-11-19/h3-5,10-11,20H,1-2,6-9,12-18H2
InChIKeyNZRUILYHRIXQRG-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.73
Rot. Bonds5

About azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone

azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone (PubChem CID 2930874) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
PubChem CID2930874
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Nameazepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(CCCc2ccccc2)C1)N1CCCCCC1
InChIInChI=1S/C21H32N2O/c24-21(23-16-6-1-2-7-17-23)20-13-9-15-22(18-20)14-8-12-19-10-4-3-5-11-19/h3-5,10-11,20H,1-2,6-9,12-18H2
InChIKeyNZRUILYHRIXQRG-UHFFFAOYSA-N
XLogP3.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone
CID 97352804
ethyl 1-(3-phenylpropyl)piperidine-3-carboxylate;hydrochloride
CID 6603291
(3-aminocyclohexyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 91660417
N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
CID 114333754
[(3R)-1-(3-phenylpropylsulfonyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 38015366
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
[(3S)-1-(3-phenylpropyl)piperidin-3-yl]methanol
CID 10966412
1-methyl-4-[4-(3-phenylpropyl)-1,4-diazepane-1-carbonyl]imidazolidin-2-one
CID 70763389
[1-[1-(3-phenylpropyl)piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45216946
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone (CID 2930874) is azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone is O=C(C1CCCN(CCCc2ccccc2)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone?
The InChIKey is NZRUILYHRIXQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c24-21(23-16-6-1-2-7-17-23)20-13-9-15-22(18-20)14-8-12-19-10-4-3-5-11-19/h3-5,10-11,20H,1-2,6-9,12-18H2.
What are the key properties of azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone?
azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone has a molecular weight of 328.50 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(3-phenylpropyl)piperidin-3-yl]methanone is sourced from PubChem (CID 2930874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).