1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide

C25H36ClN3O4 — CID 55949123

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)CC1
InChIInChI=1S/C25H36ClN3O4/c1-4-17(5-2)24(31)28-14-10-20(11-15-28)27-23(30)18-8-12-29(13-9-18)25(32)21-16-19(26)6-7-22(21)33-3/h6-7,16-18,20H,4-5,8-15H2,1-3H3,(H,27,30)
InChIKeyJHFGTTIWZXULMP-UHFFFAOYSA-N
MW478.03 g/mol
LogP3.74
Rot. Bonds7

About 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 55949123) has the molecular formula C25H36ClN3O4 and a molecular weight of 478.03 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
PubChem CID55949123
Molecular FormulaC25H36ClN3O4
Molecular Weight478.03 g/mol
Exact Mass477.24
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)CC1
InChIInChI=1S/C25H36ClN3O4/c1-4-17(5-2)24(31)28-14-10-20(11-15-28)27-23(30)18-8-12-29(13-9-18)25(32)21-16-19(26)6-7-22(21)33-3/h6-7,16-18,20H,4-5,8-15H2,1-3H3,(H,27,30)
InChIKeyJHFGTTIWZXULMP-UHFFFAOYSA-N
XLogP3.74
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.03
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555592
1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569664
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
N-(1-benzylpiperidin-3-yl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 55653629
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
1-(5-chloro-2-methoxybenzoyl)-N-[(1R,3S,4R)-3-methoxy-2,2,4-trimethylcyclobutyl]piperidine-4-carboxamide
CID 100907665
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide (CID 55949123) is 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide is CCC(CC)C(=O)N1CCC(NC(=O)C2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
The InChIKey is JHFGTTIWZXULMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClN3O4/c1-4-17(5-2)24(31)28-14-10-20(11-15-28)27-23(30)18-8-12-29(13-9-18)25(32)21-16-19(26)6-7-22(21)33-3/h6-7,16-18,20H,4-5,8-15H2,1-3H3,(H,27,30).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 478.03 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 55949123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).