N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide

C22H25ClN2O2 — CID 108564146

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C22H25ClN2O2/c1-15(2)16-6-8-17(9-7-16)21(26)24-20-10-12-25(13-11-20)22(27)18-4-3-5-19(23)14-18/h3-9,14-15,20H,10-13H2,1-2H3,(H,24,26)
InChIKeyKMIOFBZSFWRAKS-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.50
Rot. Bonds4

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide (PubChem CID 108564146) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
PubChem CID108564146
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C22H25ClN2O2/c1-15(2)16-6-8-17(9-7-16)21(26)24-20-10-12-25(13-11-20)22(27)18-4-3-5-19(23)14-18/h3-9,14-15,20H,10-13H2,1-2H3,(H,24,26)
InChIKeyKMIOFBZSFWRAKS-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
[3-[4-[(4-propan-2-ylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108563357
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
3-chloro-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]benzamide
CID 108550695
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-chlorophenoxy)propanamide
CID 108553149
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]benzamide
CID 134800906
N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 49348928
N-[1-[4-(methanesulfonamido)benzoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108564764
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110821021

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide (CID 108564146) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide?
The InChIKey is KMIOFBZSFWRAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15(2)16-6-8-17(9-7-16)21(26)24-20-10-12-25(13-11-20)22(27)18-4-3-5-19(23)14-18/h3-9,14-15,20H,10-13H2,1-2H3,(H,24,26).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-4-propan-2-ylbenzamide has a molecular weight of 384.91 g/mol, XLogP of 4.50, 4 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]-4-propan-2-ylbenzamide is sourced from PubChem (CID 108564146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).