[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride

C24H32ClN3O2 — CID 119593361

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C1.Cl
InChIInChI=1S/C24H31N3O2.ClH/c1-17(25)20-8-5-13-27(16-20)23(28)19-11-14-26(15-12-19)24(29)22-10-4-7-18-6-2-3-9-21(18)22;/h2-4,6-7,9-10,17,19-20H,5,8,11-16,25H2,1H3;1H
InChIKeyKWSJFIFJLPVEER-UHFFFAOYSA-N
MW429.99 g/mol
LogP3.70
Rot. Bonds3

About [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 119593361) has the molecular formula C24H32ClN3O2 and a molecular weight of 429.99 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID119593361
Molecular FormulaC24H32ClN3O2
Molecular Weight429.99 g/mol
Exact Mass429.22
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
SMILESCC(N)C1CCCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C1.Cl
InChIInChI=1S/C24H31N3O2.ClH/c1-17(25)20-8-5-13-27(16-20)23(28)19-11-14-26(15-12-19)24(29)22-10-4-7-18-6-2-3-9-21(18)22;/h2-4,6-7,9-10,17,19-20H,5,8,11-16,25H2,1H3;1H
InChIKeyKWSJFIFJLPVEER-UHFFFAOYSA-N
XLogP3.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.99
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride with MolForge

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Related Compounds

azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 119483891
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119594478
2-[4-[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propanamide
CID 86955156
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(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-(1-aminoethyl)piperidine-1-carbonyl]-N-benzyl-N-methylpiperidine-1-carboxamide
CID 119596833
[3-(1-aminoethyl)piperidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260950
[3-(1-aminoethyl)piperidin-1-yl]-cycloheptylmethanone;hydrochloride
CID 119595993
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride (CID 119593361) is [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride is CC(N)C1CCCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)C1.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is KWSJFIFJLPVEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2.ClH/c1-17(25)20-8-5-13-27(16-20)23(28)19-11-14-26(15-12-19)24(29)22-10-4-7-18-6-2-3-9-21(18)22;/h2-4,6-7,9-10,17,19-20H,5,8,11-16,25H2,1H3;1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 429.99 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119593361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).