N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide

C22H31N3O3 — CID 108555513

IUPACN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-3-9-20(26)23-19-10-12-24(13-11-19)22(28)18-14-21(27)25(16-18)15-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-16H2,1H3,(H,23,26)
InChIKeyWDLRULVXVCGARJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.33
Rot. Bonds7

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

N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide (PubChem CID 108555513) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
PubChem CID108555513
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-3-9-20(26)23-19-10-12-24(13-11-19)22(28)18-14-21(27)25(16-18)15-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-16H2,1H3,(H,23,26)
InChIKeyWDLRULVXVCGARJ-UHFFFAOYSA-N
XLogP2.33
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119561502
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550808
butyl 4-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]piperidine-1-carboxylate
CID 108560646
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
N-[1-[1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-3-phenylpropanamide
CID 46464404
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557384
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
4-chloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]butanamide
CID 108564809
tert-butyl 4-[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29127771
N-[1-(4-butylcyclohexanecarbonyl)piperidin-4-yl]-3-phenylpropanamide
CID 55692324
phenyl 4-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 108568580
N-[[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922031

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide?
The IUPAC name of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide (CID 108555513) is N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide?
The canonical SMILES for N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide is CCCCC(=O)NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1.
What is the InChIKey of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide?
The InChIKey is WDLRULVXVCGARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-3-9-20(26)23-19-10-12-24(13-11-19)22(28)18-14-21(27)25(16-18)15-17-7-5-4-6-8-17/h4-8,18-19H,2-3,9-16H2,1H3,(H,23,26).
What are the key properties of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide?
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide has a molecular weight of 385.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide is sourced from PubChem (CID 108555513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).