3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide

C20H31N3O — CID 97201806

IUPAC3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)NCc1cccc(N2CCCC2)c1
InChIInChI=1S/C20H31N3O/c1-22-12-3-2-8-18(22)10-11-20(24)21-16-17-7-6-9-19(15-17)23-13-4-5-14-23/h6-7,9,15,18H,2-5,8,10-14,16H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyFLLMMIWNSZPZMU-SFHVURJKSA-N
MW329.49 g/mol
LogP3.17
Rot. Bonds6

About 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide

3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide (PubChem CID 97201806) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
PubChem CID97201806
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
SMILESCN1CCCC[C@H]1CCC(=O)NCc1cccc(N2CCCC2)c1
InChIInChI=1S/C20H31N3O/c1-22-12-3-2-8-18(22)10-11-20(24)21-16-17-7-6-9-19(15-17)23-13-4-5-14-23/h6-7,9,15,18H,2-5,8,10-14,16H2,1H3,(H,21,24)/t18-/m0/s1
InChIKeyFLLMMIWNSZPZMU-SFHVURJKSA-N
XLogP3.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dioxoimidazolidin-4-yl)-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 70730130
N-[(4-cyanophenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72901526
N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97197075
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
N-[(4-chloro-1-methylindazol-3-yl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97206639
3-[(2R)-1-methylpiperidin-2-yl]-N-[(6-methylquinolin-5-yl)methyl]propanamide
CID 97209684
N-(2,6-difluorophenyl)-3-(1-methylpiperidin-2-yl)propanamide
CID 110865271
N-[1-[(3-methylphenyl)methyl]cyclopropyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72877829
N-[3-(1,3-dihydroisoindol-2-yl)propyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72890403
N-[3-(4-methylphenyl)propyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97204902
3-[(2R)-1-methylpiperidin-2-yl]-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]propanamide
CID 97210003
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2R)-1-methylpiperidin-2-yl]propanamide
CID 97206201

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide (CID 97201806) is 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide is CN1CCCC[C@H]1CCC(=O)NCc1cccc(N2CCCC2)c1.
What is the InChIKey of 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
The InChIKey is FLLMMIWNSZPZMU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H31N3O/c1-22-12-3-2-8-18(22)10-11-20(24)21-16-17-7-6-9-19(15-17)23-13-4-5-14-23/h6-7,9,15,18H,2-5,8,10-14,16H2,1H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide?
3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide has a molecular weight of 329.49 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpiperidin-2-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 97201806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).