4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one

C21H28N2O2 — CID 15132423

IUPAC4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(C(=O)N2CCCCC2CN2CCCC2)c2ccccc21
InChIInChI=1S/C21H28N2O2/c24-20-11-10-19(17-8-1-2-9-18(17)20)21(25)23-14-4-3-7-16(23)15-22-12-5-6-13-22/h1-2,8-9,16,19H,3-7,10-15H2
InChIKeyFPTZSUCBZHNOSZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.22
Rot. Bonds3

About 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one

4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 15132423) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID15132423
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(C(=O)N2CCCCC2CN2CCCC2)c2ccccc21
InChIInChI=1S/C21H28N2O2/c24-20-11-10-19(17-8-1-2-9-18(17)20)21(25)23-14-4-3-7-16(23)15-22-12-5-6-13-22/h1-2,8-9,16,19H,3-7,10-15H2
InChIKeyFPTZSUCBZHNOSZ-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95323921
(3R)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 15132410
(3S)-5,6-dichloro-3-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride
CID 67720494
6,7-dichloro-4-[3-(pyrrolidin-1-ylmethyl)morpholine-4-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
CID 18915106
4-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 86268660
4-propanoyl-3,4-dihydro-2H-naphthalen-1-one
CID 20592810
5,6-dichloro-3-[2-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 18915180
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 94819696
2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]-1-[(2S)-2-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51499509
5,6-dichloro-3-[2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-2,3-dihydroinden-1-one;hydrochloride
CID 18914994
2-[2-oxo-2-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-1-benzothiophen-4-one
CID 10067110
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-ethylazepane-1-carboxamide
CID 91919809

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one (CID 15132423) is 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCC(C(=O)N2CCCCC2CN2CCCC2)c2ccccc21.
What is the InChIKey of 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is FPTZSUCBZHNOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-20-11-10-19(17-8-1-2-9-18(17)20)21(25)23-14-4-3-7-16(23)15-22-12-5-6-13-22/h1-2,8-9,16,19H,3-7,10-15H2.
What are the key properties of 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one?
4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 340.47 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 15132423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).