2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide

C23H26ClN3O2 — CID 1063788

IUPAC2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1)c1ccccc1Cl
InChIInChI=1S/C23H26ClN3O2/c24-20-9-3-2-8-18(20)22(28)25-17-10-11-21(26-12-6-7-13-26)19(16-17)23(29)27-14-4-1-5-15-27/h2-3,8-11,16H,1,4-7,12-15H2,(H,25,28)
InChIKeyIBIBIAMYOMZAKG-UHFFFAOYSA-N
MW411.93 g/mol
LogP4.82
Rot. Bonds4

About 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide

2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide (PubChem CID 1063788) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
PubChem CID1063788
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
SMILESO=C(Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1)c1ccccc1Cl
InChIInChI=1S/C23H26ClN3O2/c24-20-9-3-2-8-18(20)22(28)25-17-10-11-21(26-12-6-7-13-26)19(16-17)23(29)27-14-4-1-5-15-27/h2-3,8-11,16H,1,4-7,12-15H2,(H,25,28)
InChIKeyIBIBIAMYOMZAKG-UHFFFAOYSA-N
XLogP4.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055001
4-[4-[(2-chlorobenzoyl)amino]-2-(piperidine-1-carbonyl)phenyl]-N-cyclohexylpiperazine-1-carboxamide
CID 42678923
4-[4-[(2-chlorobenzoyl)amino]-2-(piperidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42678912
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310
2,2-dichloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]acetamide
CID 1063786
4-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1054983
N-[4-(4-benzylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-2-chlorobenzamide
CID 42679896
3-fluoro-N-[4-piperidin-1-yl-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 1055003
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-iodobenzamide
CID 1220386
N-[4-(4-benzylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2,4-dichlorobenzamide
CID 3993970
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide (CID 1063788) is 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide is O=C(Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide?
The InChIKey is IBIBIAMYOMZAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c24-20-9-3-2-8-18(20)22(28)25-17-10-11-21(26-12-6-7-13-26)19(16-17)23(29)27-14-4-1-5-15-27/h2-3,8-11,16H,1,4-7,12-15H2,(H,25,28).
What are the key properties of 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide?
2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide has a molecular weight of 411.93 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide is sourced from PubChem (CID 1063788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).