(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

C23H35N3O2 — CID 99845338

IUPAC(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)NCc2ccccc2CN2C[C@H](C)C[C@H](C)C2)CC1=O
InChIInChI=1S/C23H35N3O2/c1-16(2)26-15-21(10-22(26)27)23(28)24-11-19-7-5-6-8-20(19)14-25-12-17(3)9-18(4)13-25/h5-8,16-18,21H,9-15H2,1-4H3,(H,24,28)/t17-,18+,21-/m0/s1
InChIKeyLQQCHJBBTHUPFP-UEXGIBASSA-N
MW385.55 g/mol
LogP3.04
Rot. Bonds6

About (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide

(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 99845338) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID99845338
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N1C[C@@H](C(=O)NCc2ccccc2CN2C[C@H](C)C[C@H](C)C2)CC1=O
InChIInChI=1S/C23H35N3O2/c1-16(2)26-15-21(10-22(26)27)23(28)24-11-19-7-5-6-8-20(19)14-25-12-17(3)9-18(4)13-25/h5-8,16-18,21H,9-15H2,1-4H3,(H,24,28)/t17-,18+,21-/m0/s1
InChIKeyLQQCHJBBTHUPFP-UEXGIBASSA-N
XLogP3.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 112826975
(3S)-1-acetyl-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124726117
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119848767
(2S)-2-acetamido-N-[[2-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-3-methylbutanamide
CID 124733535
(2R)-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119848773
N-(2-hydroxy-2-phenylethyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 43427845
N-[2-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 55847080
N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47043186
N-(2-ethylbutyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 113232057
N-[2-(2-methylpropanoylamino)ethyl]-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 108540941
2-[acetyl(methyl)amino]-N-[[2-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 47043225
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 70709391

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide (CID 99845338) is (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N1C[C@@H](C(=O)NCc2ccccc2CN2C[C@H](C)C[C@H](C)C2)CC1=O.
What is the InChIKey of (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is LQQCHJBBTHUPFP-UEXGIBASSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-16(2)26-15-21(10-22(26)27)23(28)24-11-19-7-5-6-8-20(19)14-25-12-17(3)9-18(4)13-25/h5-8,16-18,21H,9-15H2,1-4H3,(H,24,28)/t17-,18+,21-/m0/s1.
What are the key properties of (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide?
(3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]methyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 99845338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).