N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide

C23H35N3O2 — CID 45225536

IUPACN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
SMILESCN(C(=O)CCCN1CCCC1=O)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H35N3O2/c1-24(22(27)13-7-17-26-18-8-14-23(26)28)21-12-6-16-25(19-21)15-5-11-20-9-3-2-4-10-20/h2-4,9-10,21H,5-8,11-19H2,1H3
InChIKeyQUHBPLRFIQGTLW-UHFFFAOYSA-N
MW385.55 g/mol
LogP2.94
Rot. Bonds9

About N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide (PubChem CID 45225536) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
PubChem CID45225536
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
SMILESCN(C(=O)CCCN1CCCC1=O)C1CCCN(CCCc2ccccc2)C1
InChIInChI=1S/C23H35N3O2/c1-24(22(27)13-7-17-26-18-8-14-23(26)28)21-12-6-16-25(19-21)15-5-11-20-9-3-2-4-10-20/h2-4,9-10,21H,5-8,11-19H2,1H3
InChIKeyQUHBPLRFIQGTLW-UHFFFAOYSA-N
XLogP2.94
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45238946
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
CID 124969226
N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]-2-thiophen-2-ylacetamide
CID 45240726
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 25480080
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
3-(2-oxoazepan-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45224965
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
N-methyl-2-methylsulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 25364028

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide?
The IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide (CID 45225536) is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide is CN(C(=O)CCCN1CCCC1=O)C1CCCN(CCCc2ccccc2)C1.
What is the InChIKey of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide?
The InChIKey is QUHBPLRFIQGTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-24(22(27)13-7-17-26-18-8-14-23(26)28)21-12-6-16-25(19-21)15-5-11-20-9-3-2-4-10-20/h2-4,9-10,21H,5-8,11-19H2,1H3.
What are the key properties of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide?
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide has a molecular weight of 385.55 g/mol, XLogP of 2.94, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 45225536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).