2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate

C26H31N3O3 — CID 24987425

IUPAC2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate
SMILESCc1cc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)OCC(C)C
InChIInChI=1S/C26H31N3O3/c1-17(2)16-32-26(31)28-24-14-23(18(3)13-19(24)4)25(30)29-11-9-22(10-12-29)21-7-5-20(15-27)6-8-21/h5-8,13-14,17,22H,9-12,16H2,1-4H3,(H,28,31)
InChIKeyPFFCELFZZMJKHW-UHFFFAOYSA-N
MW433.55 g/mol
LogP5.40
Rot. Bonds5

About 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate

2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate (PubChem CID 24987425) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate
PubChem CID24987425
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate
SMILESCc1cc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)OCC(C)C
InChIInChI=1S/C26H31N3O3/c1-17(2)16-32-26(31)28-24-14-23(18(3)13-19(24)4)25(30)29-11-9-22(10-12-29)21-7-5-20(15-27)6-8-21/h5-8,13-14,17,22H,9-12,16H2,1-4H3,(H,28,31)
InChIKeyPFFCELFZZMJKHW-UHFFFAOYSA-N
XLogP5.40
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate 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

2-methylpropyl N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]carbamate
CID 24988178
4-[1-(4-cyclobutyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 141349847
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]-3-methylbutanamide
CID 91449961
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
ethyl 4-(4-cyanophenyl)piperidine-1-carboxylate
CID 67435574
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-N,4-dimethylbenzamide;5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanamine
CID 158788228
5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoic acid;methanol;methyl 5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-cyclobutyl-4-methylbenzoate
CID 157214542
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]acetic acid
CID 68950872
N-[5-[4-(4-cyanophenyl)azepane-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 148998504
4-[1-(4-cyclobutyl-5-formyl-2-methylbenzoyl)piperidin-4-yl]benzonitrile
CID 86672547
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-(2,2-dimethylpropyl)urea
CID 25128972

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate (CID 24987425) is 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate is Cc1cc(C)c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate?
The InChIKey is PFFCELFZZMJKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-17(2)16-32-26(31)28-24-14-23(18(3)13-19(24)4)25(30)29-11-9-22(10-12-29)21-7-5-20(15-27)6-8-21/h5-8,13-14,17,22H,9-12,16H2,1-4H3,(H,28,31).
What are the key properties of 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate?
2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2,4-dimethylphenyl]carbamate is sourced from PubChem (CID 24987425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).