tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate

C30H39N3O2 — CID 54357267

IUPACtert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CCN(Cc2ccccc2)CC1)C1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C30H39N3O2/c1-29(2,3)35-28(34)33(27-16-20-32(21-17-27)22-24-10-6-4-7-11-24)26-14-18-30(23-31,19-15-26)25-12-8-5-9-13-25/h4-13,26-27H,14-22H2,1-3H3
InChIKeyUJZFWJFDJBSACN-UHFFFAOYSA-N
MW473.66 g/mol
LogP6.29
Rot. Bonds5

About tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate

tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate (PubChem CID 54357267) has the molecular formula C30H39N3O2 and a molecular weight of 473.66 g/mol. Its IUPAC name is tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate
PubChem CID54357267
Molecular FormulaC30H39N3O2
Molecular Weight473.66 g/mol
Exact Mass473.30
IUPAC Nametert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)N(C1CCN(Cc2ccccc2)CC1)C1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C30H39N3O2/c1-29(2,3)35-28(34)33(27-16-20-32(21-17-27)22-24-10-6-4-7-11-24)26-14-18-30(23-31,19-15-26)25-12-8-5-9-13-25/h4-13,26-27H,14-22H2,1-3H3
InChIKeyUJZFWJFDJBSACN-UHFFFAOYSA-N
XLogP6.29
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.66
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)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

tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-(3,3-dimethylcyclobutyl)carbamate
CID 167503825
4-[(1-benzylpiperidin-4-yl)amino]-1-phenylcyclohexane-1-carbonitrile
CID 4792426
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
tert-butyl N-(1-benzyl-3,3-dimethylpiperidin-4-yl)-N-methylcarbamate
CID 170788354
tert-butyl (1-benzylpiperidin-4-yl)arsanylformate
CID 173186373
tert-butyl N-[(3S,4R)-1-benzyl-3-cyanopiperidin-4-yl]carbamate
CID 155294397
tert-butyl N-(1-amino-1-oxo-3-phenylpropan-2-yl)-N-(1-benzylpiperidin-4-yl)carbamate
CID 54190281
tert-butyl N-(1-benzyl-4-methylpiperidin-4-yl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 139535988
tert-butyl 4-(4-cyano-4-phenylcyclohexyl)-1,4-diazepane-1-carboxylate
CID 134432038
1-[(4-methoxyphenyl)methyl]-4-phenylpiperidine-4-carbonitrile
CID 68708591

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate (CID 54357267) is tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate is CC(C)(C)OC(=O)N(C1CCN(Cc2ccccc2)CC1)C1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate?
The InChIKey is UJZFWJFDJBSACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O2/c1-29(2,3)35-28(34)33(27-16-20-32(21-17-27)22-24-10-6-4-7-11-24)26-14-18-30(23-31,19-15-26)25-12-8-5-9-13-25/h4-13,26-27H,14-22H2,1-3H3.
What are the key properties of tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate?
tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate has a molecular weight of 473.66 g/mol, XLogP of 6.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-benzylpiperidin-4-yl)-N-(4-cyano-4-phenylcyclohexyl)carbamate is sourced from PubChem (CID 54357267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).