N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide

C18H25ClN2O2 — CID 110821022

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-18(2,3)12-16(22)20-15-7-9-21(10-8-15)17(23)13-5-4-6-14(19)11-13/h4-6,11,15H,7-10,12H2,1-3H3,(H,20,22)
InChIKeyLVYOTVUOKUMFHB-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.50
Rot. Bonds3

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide (PubChem CID 110821022) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
PubChem CID110821022
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C18H25ClN2O2/c1-18(2,3)12-16(22)20-15-7-9-21(10-8-15)17(23)13-5-4-6-14(19)11-13/h4-6,11,15H,7-10,12H2,1-3H3,(H,20,22)
InChIKeyLVYOTVUOKUMFHB-UHFFFAOYSA-N
XLogP3.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821662
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821514
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549659
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552034
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564146
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
(3-chlorophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248550

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide (CID 110821022) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NC1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
The InChIKey is LVYOTVUOKUMFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-18(2,3)12-16(22)20-15-7-9-21(10-8-15)17(23)13-5-4-6-14(19)11-13/h4-6,11,15H,7-10,12H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide has a molecular weight of 336.86 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 110821022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).