tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate

C18H35N3O2 — CID 103695447

IUPACtert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
SMILESCN1CCCC(NC2CCCCC2CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-12-14-8-5-6-10-16(14)20-15-9-7-11-21(4)13-15/h14-16,20H,5-13H2,1-4H3,(H,19,22)
InChIKeyRDZJNDZCEGGEDU-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.75
Rot. Bonds4

About tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate (PubChem CID 103695447) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
PubChem CID103695447
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
SMILESCN1CCCC(NC2CCCCC2CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-12-14-8-5-6-10-16(14)20-15-9-7-11-21(4)13-15/h14-16,20H,5-13H2,1-4H3,(H,19,22)
InChIKeyRDZJNDZCEGGEDU-UHFFFAOYSA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]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

tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
CID 103082525
tert-butyl N-[[2-(piperidin-3-ylamino)cyclohexyl]methyl]carbamate
CID 107251407
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[[2-[(3,3-dimethylcyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103819112
tert-butyl N-[[2-[(3-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861
tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 99782010
tert-butyl N-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 106253113
tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate
CID 103695583
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[2-[(3-methoxycyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 104584543
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclohexyl]methyl]carbamate
CID 107446347
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate (CID 103695447) is tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate is CN1CCCC(NC2CCCCC2CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate?
The InChIKey is RDZJNDZCEGGEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-18(2,3)23-17(22)19-12-14-8-5-6-10-16(14)20-15-9-7-11-21(4)13-15/h14-16,20H,5-13H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103695447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).