1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

C23H26ClN3O4 — CID 55788299

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C23H26ClN3O4/c1-3-21(28)25-17-5-7-18(8-6-17)26-22(29)15-10-12-27(13-11-15)23(30)19-14-16(24)4-9-20(19)31-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFFXOAVLKSNJMER-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.19
Rot. Bonds6

About 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide (PubChem CID 55788299) has the molecular formula C23H26ClN3O4 and a molecular weight of 443.93 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
PubChem CID55788299
Molecular FormulaC23H26ClN3O4
Molecular Weight443.93 g/mol
Exact Mass443.16
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
SMILESCCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1
InChIInChI=1S/C23H26ClN3O4/c1-3-21(28)25-17-5-7-18(8-6-17)26-22(29)15-10-12-27(13-11-15)23(30)19-14-16(24)4-9-20(19)31-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyFFXOAVLKSNJMER-UHFFFAOYSA-N
XLogP4.19
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56502217
1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55949123
N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56586390
2-[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55622870
1-(5-chloro-2-methoxybenzoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 55674310
1-(5-chloro-2-methoxybenzoyl)-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 55899749
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56551226

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide (CID 55788299) is 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide is CCC(=O)Nc1ccc(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is FFXOAVLKSNJMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4/c1-3-21(28)25-17-5-7-18(8-6-17)26-22(29)15-10-12-27(13-11-15)23(30)19-14-16(24)4-9-20(19)31-2/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 443.93 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55788299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).