4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide

C22H27N3O2 — CID 108557963

IUPAC4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-16-5-4-6-18(15-16)22(27)25-13-11-19(12-14-25)23-21(26)17-7-9-20(10-8-17)24(2)3/h4-10,15,19H,11-14H2,1-3H3,(H,23,26)
InChIKeyCEBISXVTSCAUAE-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.10
Rot. Bonds4

About 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide

4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108557963) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108557963
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-16-5-4-6-18(15-16)22(27)25-13-11-19(12-14-25)23-21(26)17-7-9-20(10-8-17)24(2)3/h4-10,15,19H,11-14H2,1-3H3,(H,23,26)
InChIKeyCEBISXVTSCAUAE-UHFFFAOYSA-N
XLogP3.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 108554445
2-chloro-N-[1-(3-methylbenzoyl)piperidin-4-yl]acetamide
CID 108566071
[3-[4-[(3-methylbenzoyl)amino]piperidine-1-carbonyl]phenyl] acetate
CID 108555308
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
N-[1-(3-methylbenzoyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 108554529
N-[1-(3-methylbenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820295
N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
CID 108554641

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide (CID 108557963) is 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide is Cc1cccc(C(=O)N2CCC(NC(=O)c3ccc(N(C)C)cc3)CC2)c1.
What is the InChIKey of 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is CEBISXVTSCAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-5-4-6-18(15-16)22(27)25-13-11-19(12-14-25)23-21(26)17-7-9-20(10-8-17)24(2)3/h4-10,15,19H,11-14H2,1-3H3,(H,23,26).
What are the key properties of 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide?
4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108557963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).