N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide

C20H29N3O2 — CID 119757834

IUPACN-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1CCN(Cc2ccccc2)C1=O)C1CCNCC1
InChIInChI=1S/C20H29N3O2/c1-15(17-7-10-21-11-8-17)13-19(24)22-18-9-12-23(20(18)25)14-16-5-3-2-4-6-16/h2-6,15,17-18,21H,7-14H2,1H3,(H,22,24)
InChIKeyWZMQRCAQVBYTGC-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.93
Rot. Bonds6

About N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide

N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide (PubChem CID 119757834) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
PubChem CID119757834
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NC1CCN(Cc2ccccc2)C1=O)C1CCNCC1
InChIInChI=1S/C20H29N3O2/c1-15(17-7-10-21-11-8-17)13-19(24)22-18-9-12-23(20(18)25)14-16-5-3-2-4-6-16/h2-6,15,17-18,21H,7-14H2,1H3,(H,22,24)
InChIKeyWZMQRCAQVBYTGC-UHFFFAOYSA-N
XLogP1.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide
CID 119782040
N-(2-oxo-1-phenylpiperidin-3-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119787611
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119798477
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119889796
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119872755
N-(1-benzyl-5-methylpyrrolidin-3-yl)-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119895524
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951734
N-[1-(1-phenylethyl)piperidin-4-yl]-3-piperidin-4-ylbutanamide
CID 119879223
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide (CID 119757834) is N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide is CC(CC(=O)NC1CCN(Cc2ccccc2)C1=O)C1CCNCC1.
What is the InChIKey of N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide?
The InChIKey is WZMQRCAQVBYTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15(17-7-10-21-11-8-17)13-19(24)22-18-9-12-23(20(18)25)14-16-5-3-2-4-6-16/h2-6,15,17-18,21H,7-14H2,1H3,(H,22,24).
What are the key properties of N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide?
N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide has a molecular weight of 343.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxopyrrolidin-3-yl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119757834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).