3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide

C20H31N3O — CID 60569671

IUPAC3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NC2CCN(C(C)c3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O/c1-15-11-16(2)13-23(12-15)20(24)21-19-9-10-22(14-19)17(3)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,21,24)
InChIKeyGUECYWLXIHEPFK-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.51
Rot. Bonds3

About 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide

3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide (PubChem CID 60569671) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
PubChem CID60569671
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)NC2CCN(C(C)c3ccccc3)C2)C1
InChIInChI=1S/C20H31N3O/c1-15-11-16(2)13-23(12-15)20(24)21-19-9-10-22(14-19)17(3)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,21,24)
InChIKeyGUECYWLXIHEPFK-UHFFFAOYSA-N
XLogP3.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 94197653
2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 47070507
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98726634
3-(hydroxymethyl)-N-[1-(1-phenylethyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 111444164
1-cyclopropyl-3-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]thiourea
CID 98760713
N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]pyridine-2-carboxamide
CID 94536296
2-[[1-(1-phenylethyl)pyrrolidin-3-yl]amino]pentanoic acid
CID 122039894
3-acetamido-N-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 100840976
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
N-[(3S)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 94536313
3-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 51091908
1-oxido-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]pyridin-1-ium-2-carboxamide
CID 95094293

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide (CID 60569671) is 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide is CC1CC(C)CN(C(=O)NC2CCN(C(C)c3ccccc3)C2)C1.
What is the InChIKey of 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
The InChIKey is GUECYWLXIHEPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-15-11-16(2)13-23(12-15)20(24)21-19-9-10-22(14-19)17(3)18-7-5-4-6-8-18/h4-8,15-17,19H,9-14H2,1-3H3,(H,21,24).
What are the key properties of 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide?
3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 60569671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).