1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide

C21H25N3O2 — CID 41263290

IUPAC1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESCN(C)c1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-23(2)19-10-6-7-17(15-19)21(26)24-13-11-16(12-14-24)20(25)22-18-8-4-3-5-9-18/h3-10,15-16H,11-14H2,1-2H3,(H,22,25)
InChIKeyBPJUDSPPBUHLBJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.24
Rot. Bonds4

About 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide

1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 41263290) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID41263290
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESCN(C)c1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-23(2)19-10-6-7-17(15-19)21(26)24-13-11-16(12-14-24)20(25)22-18-8-4-3-5-9-18/h3-10,15-16H,11-14H2,1-2H3,(H,22,25)
InChIKeyBPJUDSPPBUHLBJ-UHFFFAOYSA-N
XLogP3.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 18137390
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
1-(benzenesulfonyl)-N-[3-(dimethylamino)phenyl]piperidine-4-carboxamide
CID 4962927
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide (CID 41263290) is 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide is CN(C)c1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is BPJUDSPPBUHLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(2)19-10-6-7-17(15-19)21(26)24-13-11-16(12-14-24)20(25)22-18-8-4-3-5-9-18/h3-10,15-16H,11-14H2,1-2H3,(H,22,25).
What are the key properties of 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide?
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 41263290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).