N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide

C18H25ClN2O3 — CID 108549536

IUPACN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CC(C)C)CC1
InChIInChI=1S/C18H25ClN2O3/c1-12(2)10-17(22)20-14-6-8-21(9-7-14)18(23)15-11-13(19)4-5-16(15)24-3/h4-5,11-12,14H,6-10H2,1-3H3,(H,20,22)
InChIKeyPAISPTWGRKPALO-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.12
Rot. Bonds5

About N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 108549536) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
PubChem CID108549536
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CC(C)C)CC1
InChIInChI=1S/C18H25ClN2O3/c1-12(2)10-17(22)20-14-6-8-21(9-7-14)18(23)15-11-13(19)4-5-16(15)24-3/h4-5,11-12,14H,6-10H2,1-3H3,(H,20,22)
InChIKeyPAISPTWGRKPALO-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555592
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552045
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-(4-methylphenoxy)butanamide
CID 108553430
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55949123
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-(5-chloro-2-methoxybenzoyl)-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-4-carboxamide
CID 56569664
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide (CID 108549536) is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide is COc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)CC(C)C)CC1.
What is the InChIKey of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is PAISPTWGRKPALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-12(2)10-17(22)20-14-6-8-21(9-7-14)18(23)15-11-13(19)4-5-16(15)24-3/h4-5,11-12,14H,6-10H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide?
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 352.86 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 108549536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).