1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide

C22H27N3O2 — CID 119555623

IUPAC1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCC1CCCNC1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C22H27N3O2/c26-21-13-18(22(27)24-12-10-16-5-4-11-23-14-16)15-25(21)20-9-3-7-17-6-1-2-8-19(17)20/h1-3,6-9,16,18,23H,4-5,10-15H2,(H,24,27)
InChIKeyCXOGBWUBIUJUGP-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.70
Rot. Bonds5

About 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide

1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 119555623) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
PubChem CID119555623
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCCC1CCCNC1)C1CC(=O)N(c2cccc3ccccc23)C1
InChIInChI=1S/C22H27N3O2/c26-21-13-18(22(27)24-12-10-16-5-4-11-23-14-16)15-25(21)20-9-3-7-17-6-1-2-8-19(17)20/h1-3,6-9,16,18,23H,4-5,10-15H2,(H,24,27)
InChIKeyCXOGBWUBIUJUGP-UHFFFAOYSA-N
XLogP2.70
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
1-naphthalen-1-yl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119510489
1-(3,5-dichlorophenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119559499
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide
CID 119556384
5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119554911
N-[3-(methylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119430135
1-naphthalen-1-yl-5-oxo-N-prop-2-ynylpyrrolidine-3-carboxamide
CID 51177829
5-oxo-1-pentan-3-yl-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119556333
N-methyl-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 47099878
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
1-(2,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119533531
N-[(2R)-2-(ethylamino)propyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653238

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide (CID 119555623) is 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide is O=C(NCCC1CCCNC1)C1CC(=O)N(c2cccc3ccccc23)C1.
What is the InChIKey of 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is CXOGBWUBIUJUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21-13-18(22(27)24-12-10-16-5-4-11-23-14-16)15-25(21)20-9-3-7-17-6-1-2-8-19(17)20/h1-3,6-9,16,18,23H,4-5,10-15H2,(H,24,27).
What are the key properties of 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide?
1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-5-oxo-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119555623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).