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

C24H26ClN3O3 — CID 108550808

IUPACN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
SMILESO=C(NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1)c1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c25-21-9-5-4-8-20(21)23(30)26-19-10-12-27(13-11-19)24(31)18-14-22(29)28(16-18)15-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30)
InChIKeyQLMMJARZSQAQKR-UHFFFAOYSA-N
MW439.94 g/mol
LogP3.11
Rot. Bonds5

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

N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide (PubChem CID 108550808) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
PubChem CID108550808
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC NameN-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide
SMILESO=C(NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1)c1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c25-21-9-5-4-8-20(21)23(30)26-19-10-12-27(13-11-19)24(31)18-14-22(29)28(16-18)15-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30)
InChIKeyQLMMJARZSQAQKR-UHFFFAOYSA-N
XLogP3.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 53.11
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]pyrazine-2-carboxamide
CID 108557384
1-benzyl-4-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119623169
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]pentanamide
CID 108555513
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
1-benzyl-4-[4-(2-sulfanylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 108546297
(4R)-4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-benzylpyrrolidin-2-one
CID 27509800
4-(4-acetyl-1,4-diazepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 56807347
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-one
CID 25362673
N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42656174
(3S)-N-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 39354010

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide?
The IUPAC name of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide (CID 108550808) is N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide.
What is the SMILES notation for N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide?
The canonical SMILES for N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide is O=C(NC1CCN(C(=O)C2CC(=O)N(Cc3ccccc3)C2)CC1)c1ccccc1Cl.
What is the InChIKey of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide?
The InChIKey is QLMMJARZSQAQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c25-21-9-5-4-8-20(21)23(30)26-19-10-12-27(13-11-19)24(31)18-14-22(29)28(16-18)15-17-6-2-1-3-7-17/h1-9,18-19H,10-16H2,(H,26,30).
What are the key properties of N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide?
N-[1-(1-benzyl-5-oxopyrrolidine-3-carbonyl)piperidin-4-yl]-2-chlorobenzamide has a molecular weight of 439.94 g/mol, XLogP of 3.11, 5 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]-2-chlorobenzamide is sourced from PubChem (CID 108550808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).