N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride

C20H30ClN3O2 — CID 154898599

IUPACN-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride
SMILESCN1C[C@H](NC(=O)CCCN2CCCCC2=O)[C@@H](c2ccccc2)C1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-22-14-17(16-8-3-2-4-9-16)18(15-22)21-19(24)10-7-13-23-12-6-5-11-20(23)25;/h2-4,8-9,17-18H,5-7,10-15H2,1H3,(H,21,24);1H/t17-,18+;/m1./s1
InChIKeyCTPOKNBIQVQGMU-URBRKQAFSA-N
MW379.93 g/mol
LogP2.41
Rot. Bonds6

About N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride

N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride (PubChem CID 154898599) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride
PubChem CID154898599
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC NameN-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride
SMILESCN1C[C@H](NC(=O)CCCN2CCCCC2=O)[C@@H](c2ccccc2)C1.Cl
InChIInChI=1S/C20H29N3O2.ClH/c1-22-14-17(16-8-3-2-4-9-16)18(15-22)21-19(24)10-7-13-23-12-6-5-11-20(23)25;/h2-4,8-9,17-18H,5-7,10-15H2,1H3,(H,21,24);1H/t17-,18+;/m1./s1
InChIKeyCTPOKNBIQVQGMU-URBRKQAFSA-N
XLogP2.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 25480080
1-[2-[(3S,4S)-3-hydroxy-4-phenylpiperidin-1-yl]ethyl]pyrrolidin-2-one
CID 164696726
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
N-[2-(1,3-benzothiazol-2-yl)cyclohexyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 171835727
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131908174
3-hydroxy-N-[(3R,4S)-4-phenyl-1-propan-2-ylpyrrolidin-3-yl]propanamide;hydrochloride
CID 154898487
N-(2-phenylcyclopropyl)-4-pyrrol-1-ylbutanamide
CID 75509288
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611
3-(2-oxoazepan-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45228344
3-(2-oxoazepan-1-yl)-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 26318438
1-[4-oxo-4-(3-phenylpiperazin-1-yl)butyl]pyrrolidin-2-one
CID 74251567

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride (CID 154898599) is N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride is CN1C[C@H](NC(=O)CCCN2CCCCC2=O)[C@@H](c2ccccc2)C1.Cl.
What is the InChIKey of N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride?
The InChIKey is CTPOKNBIQVQGMU-URBRKQAFSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c1-22-14-17(16-8-3-2-4-9-16)18(15-22)21-19(24)10-7-13-23-12-6-5-11-20(23)25;/h2-4,8-9,17-18H,5-7,10-15H2,1H3,(H,21,24);1H/t17-,18+;/m1./s1.
What are the key properties of N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride?
N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-4-(2-oxopiperidin-1-yl)butanamide;hydrochloride is sourced from PubChem (CID 154898599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).