azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

C23H28N2O2 — CID 27659108

IUPACazepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C23H28N2O2/c26-22(24-14-5-1-2-6-15-24)19-12-16-25(17-13-19)23(27)21-11-7-9-18-8-3-4-10-20(18)21/h3-4,7-11,19H,1-2,5-6,12-17H2
InChIKeyDNCVZTOIVFJLBD-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.09
Rot. Bonds2

About azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 27659108) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
PubChem CID27659108
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Nameazepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1
InChIInChI=1S/C23H28N2O2/c26-22(24-14-5-1-2-6-15-24)19-12-16-25(17-13-19)23(27)21-11-7-9-18-8-3-4-10-20(18)21/h3-4,7-11,19H,1-2,5-6,12-17H2
InChIKeyDNCVZTOIVFJLBD-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 119483891
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 120655609
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 34229652
2-[4-[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propanamide
CID 86955156
[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119593361
N-cyclohexyl-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18108639
(2-methylmorpholin-4-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 47016285
[(2S)-2-methylmorpholin-4-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 42002042
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 146086866

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (CID 27659108) is azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCCCCC2)CC1.
What is the InChIKey of azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is DNCVZTOIVFJLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22(24-14-5-1-2-6-15-24)19-12-16-25(17-13-19)23(27)21-11-7-9-18-8-3-4-10-20(18)21/h3-4,7-11,19H,1-2,5-6,12-17H2.
What are the key properties of azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 27659108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).