N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide

C21H26N4O3 — CID 108922031

IUPACN-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C21H26N4O3/c22-9-6-19(26)23-13-16-7-10-24(11-8-16)21(28)18-12-20(27)25(15-18)14-17-4-2-1-3-5-17/h1-5,16,18H,6-8,10-15H2,(H,23,26)
InChIKeyYFGCRPQUNQPTLG-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.30
Rot. Bonds6

About N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide

N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide (PubChem CID 108922031) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
PubChem CID108922031
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C21H26N4O3/c22-9-6-19(26)23-13-16-7-10-24(11-8-16)21(28)18-12-20(27)25(15-18)14-17-4-2-1-3-5-17/h1-5,16,18H,6-8,10-15H2,(H,23,26)
InChIKeyYFGCRPQUNQPTLG-UHFFFAOYSA-N
XLogP1.30
TPSA93.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide with MolForge

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Related Compounds

tert-butyl N-[2-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916415
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
3-[4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543326
1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
1-benzyl-4-[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 47042743
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119645946
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
2-cyano-N-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 108922247
1-benzyl-N-[4-[[(2-cyanoacetyl)amino]methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108923152
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550808
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide?
The IUPAC name of N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide (CID 108922031) is N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide.
What is the SMILES notation for N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide?
The canonical SMILES for N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide is N#CCC(=O)NCC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide?
The InChIKey is YFGCRPQUNQPTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-9-6-19(26)23-13-16-7-10-24(11-8-16)21(28)18-12-20(27)25(15-18)14-17-4-2-1-3-5-17/h1-5,16,18H,6-8,10-15H2,(H,23,26).
What are the key properties of N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide?
N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide has a molecular weight of 382.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide is sourced from PubChem (CID 108922031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).