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

C22H33N3O2 — CID 45246349

IUPACN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
SMILESCN(C(=O)CCCN1CCCC1=O)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H33N3O2/c1-23(21(26)11-6-15-25-16-7-12-22(25)27)20-10-5-14-24(18-20)17-13-19-8-3-2-4-9-19/h2-4,8-9,20H,5-7,10-18H2,1H3
InChIKeyUVYHWJWGFHJWRP-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.55
Rot. Bonds8

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

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide (PubChem CID 45246349) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
PubChem CID45246349
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
SMILESCN(C(=O)CCCN1CCCC1=O)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H33N3O2/c1-23(21(26)11-6-15-25-16-7-12-22(25)27)20-10-5-14-24(18-20)17-13-19-8-3-2-4-9-19/h2-4,8-9,20H,5-7,10-18H2,1H3
InChIKeyUVYHWJWGFHJWRP-UHFFFAOYSA-N
XLogP2.55
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45225536
4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 25480080
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]butanamide
CID 124969226
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
N-methyl-3-(3-oxo-1H-isoindol-2-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]propanamide
CID 45238946
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide?
The IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide (CID 45246349) is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide is CN(C(=O)CCCN1CCCC1=O)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide?
The InChIKey is UVYHWJWGFHJWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-23(21(26)11-6-15-25-16-7-12-22(25)27)20-10-5-14-24(18-20)17-13-19-8-3-2-4-9-19/h2-4,8-9,20H,5-7,10-18H2,1H3.
What are the key properties of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide?
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide has a molecular weight of 371.53 g/mol, XLogP of 2.55, 8 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-(2-phenylethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 45246349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).