tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate

C18H35N3O2 — CID 58235997

IUPACtert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate
SMILESCC(C)N1CCN(C2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C18H35N3O2/c1-14(2)20-9-11-21(12-10-20)16-8-6-7-15(13-16)19-17(22)23-18(3,4)5/h14-16H,6-13H2,1-5H3,(H,19,22)/t15-,16?/m1/s1
InChIKeyGQYOAHOYDLCCND-AAFJCEBUSA-N
MW325.50 g/mol
LogP2.85
Rot. Bonds3

About tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate

tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate (PubChem CID 58235997) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate
PubChem CID58235997
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate
SMILESCC(C)N1CCN(C2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C18H35N3O2/c1-14(2)20-9-11-21(12-10-20)16-8-6-7-15(13-16)19-17(22)23-18(3,4)5/h14-16H,6-13H2,1-5H3,(H,19,22)/t15-,16?/m1/s1
InChIKeyGQYOAHOYDLCCND-AAFJCEBUSA-N
XLogP2.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate;tert-butyl N-[(3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate;methane
CID 159616114
tert-butyl N-[(1S)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]carbamate
CID 70920720
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
CID 59424157
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-(8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-yl)carbamate
CID 146394343
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(4-octa-3,5,7-trienylpiperazin-1-yl)cyclohexyl]carbamate
CID 91363143
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651
tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 94147044

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate (CID 58235997) is tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate is CC(C)N1CCN(C2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate?
The InChIKey is GQYOAHOYDLCCND-AAFJCEBUSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(2)20-9-11-21(12-10-20)16-8-6-7-15(13-16)19-17(22)23-18(3,4)5/h14-16H,6-13H2,1-5H3,(H,19,22)/t15-,16?/m1/s1.
What are the key properties of tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate?
tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate has a molecular weight of 325.50 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate is sourced from PubChem (CID 58235997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).