N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C20H27N3O2 — CID 136513000

IUPACN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C1CCCc2ccc(NC(=O)N3CCCC(N4CCCC4)C3)cc21
InChIInChI=1S/C20H27N3O2/c24-19-7-3-5-15-8-9-16(13-18(15)19)21-20(25)23-12-4-6-17(14-23)22-10-1-2-11-22/h8-9,13,17H,1-7,10-12,14H2,(H,21,25)
InChIKeyQAHMDUCKBLHDIS-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.30
Rot. Bonds2

About N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide

N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 136513000) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID136513000
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESO=C1CCCc2ccc(NC(=O)N3CCCC(N4CCCC4)C3)cc21
InChIInChI=1S/C20H27N3O2/c24-19-7-3-5-15-8-9-16(13-18(15)19)21-20(25)23-12-4-6-17(14-23)22-10-1-2-11-22/h8-9,13,17H,1-7,10-12,14H2,(H,21,25)
InChIKeyQAHMDUCKBLHDIS-UHFFFAOYSA-N
XLogP3.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)piperidine-1-carboxamide
CID 111840825
N-(3,4-difluorophenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 146121673
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97079605
(3R)-N-[4-(pyridin-4-ylmethyl)phenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518441
(3S)-3-hydroxy-1-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)pyrrolidine-1,3-dicarboxamide
CID 164642350
N-pyridin-3-yl-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47050086
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518848
(9aS)-N-(6-chloro-3-pyridinyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 118789483
ethyl 5-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]-1-benzothiophene-2-carboxylate
CID 95302377
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168
2-amino-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)acetamide;hydrochloride
CID 119322556

Frequently Asked Questions

What is the IUPAC name of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 136513000) is N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide is O=C1CCCc2ccc(NC(=O)N3CCCC(N4CCCC4)C3)cc21.
What is the InChIKey of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is QAHMDUCKBLHDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19-7-3-5-15-8-9-16(13-18(15)19)21-20(25)23-12-4-6-17(14-23)22-10-1-2-11-22/h8-9,13,17H,1-7,10-12,14H2,(H,21,25).
What are the key properties of N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 136513000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).