4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide

C27H43N3O2 — CID 3796209

IUPAC4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C3CCN(C(=O)NC(C)(C)CC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C27H43N3O2/c1-20-7-9-23(10-8-20)24(31)29-15-11-21(12-16-29)22-13-17-30(18-14-22)25(32)28-27(5,6)19-26(2,3)4/h7-10,21-22H,11-19H2,1-6H3,(H,28,32)
InChIKeyRANWJNKDNSRSBX-UHFFFAOYSA-N
MW441.66 g/mol
LogP5.48
Rot. Bonds4

About 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide

4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide (PubChem CID 3796209) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide
PubChem CID3796209
Molecular FormulaC27H43N3O2
Molecular Weight441.66 g/mol
Exact Mass441.34
IUPAC Name4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C3CCN(C(=O)NC(C)(C)CC(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C27H43N3O2/c1-20-7-9-23(10-8-20)24(31)29-15-11-21(12-16-29)22-13-17-30(18-14-22)25(32)28-27(5,6)19-26(2,3)4/h7-10,21-22H,11-19H2,1-6H3,(H,28,32)
InChIKeyRANWJNKDNSRSBX-UHFFFAOYSA-N
XLogP5.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 23909766
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
(4-methylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259067
[4-(1-tert-butylsulfanylpropan-2-ylamino)piperidin-1-yl]-(4-methylphenyl)methanone
CID 75427884
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
1-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122000335
[3-(methylamino)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 81467156
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide (CID 3796209) is 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide is Cc1ccc(C(=O)N2CCC(C3CCN(C(=O)NC(C)(C)CC(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide?
The InChIKey is RANWJNKDNSRSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O2/c1-20-7-9-23(10-8-20)24(31)29-15-11-21(12-16-29)22-13-17-30(18-14-22)25(32)28-27(5,6)19-26(2,3)4/h7-10,21-22H,11-19H2,1-6H3,(H,28,32).
What are the key properties of 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide?
4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide has a molecular weight of 441.66 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 3796209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).