tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate

C24H42N2O3 — CID 140646692

IUPACtert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC(C2CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C24H42N2O3/c1-24(2,3)29-23(28)25-17-18-8-7-11-21(16-18)19-12-14-26(15-13-19)22(27)20-9-5-4-6-10-20/h18-21H,4-17H2,1-3H3,(H,25,28)
InChIKeyIMYKMOPNERHSGA-UHFFFAOYSA-N
MW406.61 g/mol
LogP5.14
Rot. Bonds4

About tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate

tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate (PubChem CID 140646692) has the molecular formula C24H42N2O3 and a molecular weight of 406.61 g/mol. Its IUPAC name is tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate
PubChem CID140646692
Molecular FormulaC24H42N2O3
Molecular Weight406.61 g/mol
Exact Mass406.32
IUPAC Nametert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC(C2CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C24H42N2O3/c1-24(2,3)29-23(28)25-17-18-8-7-11-21(16-18)19-12-14-26(15-13-19)22(27)20-9-5-4-6-10-20/h18-21H,4-17H2,1-3H3,(H,25,28)
InChIKeyIMYKMOPNERHSGA-UHFFFAOYSA-N
XLogP5.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.61
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]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-cyclohexyl-2-hydroxy-3-[3-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]piperidine-1-carbonyl]cyclohexyl]oxypropanoic acid
CID 140646715
tert-butyl N-[[3-[1-[2-(4-bromocyclohexyl)acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate
CID 140644460
tert-butyl N-[3-[[1-(cyclohexanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919227
tert-butyl N-[[3-[1-[2-[3-[hydroxy(dimethyl)silyl]cyclohexyl]acetyl]piperidin-4-yl]cyclohexyl]methyl]carbamate
CID 140644503
tert-butyl N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919505
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[(3-bromocyclohexyl)methyl]carbamate
CID 104701959
tert-butyl N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919724
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate (CID 140646692) is tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC(C2CCN(C(=O)C3CCCCC3)CC2)C1.
What is the InChIKey of tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate?
The InChIKey is IMYKMOPNERHSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O3/c1-24(2,3)29-23(28)25-17-18-8-7-11-21(16-18)19-12-14-26(15-13-19)22(27)20-9-5-4-6-10-20/h18-21H,4-17H2,1-3H3,(H,25,28).
What are the key properties of tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate?
tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate has a molecular weight of 406.61 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[1-(cyclohexanecarbonyl)piperidin-4-yl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 140646692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).