tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate

C20H37N3O3 — CID 60512573

IUPACtert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESCC1CCC(NC(=O)C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H37N3O3/c1-14-6-8-16(9-7-14)21-18(24)15(2)23-12-10-17(11-13-23)22-19(25)26-20(3,4)5/h14-17H,6-13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyBKKVCBJAKIIDBW-UHFFFAOYSA-N
MW367.53 g/mol
LogP3.06
Rot. Bonds4

About tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate

tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate (PubChem CID 60512573) has the molecular formula C20H37N3O3 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate
PubChem CID60512573
Molecular FormulaC20H37N3O3
Molecular Weight367.53 g/mol
Exact Mass367.28
IUPAC Nametert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate
SMILESCC1CCC(NC(=O)C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C20H37N3O3/c1-14-6-8-16(9-7-14)21-18(24)15(2)23-12-10-17(11-13-23)22-19(25)26-20(3,4)5/h14-17H,6-13H2,1-5H3,(H,21,24)(H,22,25)
InChIKeyBKKVCBJAKIIDBW-UHFFFAOYSA-N
XLogP3.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 94147044
tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513147
tert-butyl N-[1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidin-4-yl]carbamate
CID 95300418
tert-butyl N-[1-[1-(2-methylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513191
1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908292
N-cyclopropyl-2-[4-(methylamino)piperidin-1-yl]propanamide
CID 60820306
tert-butyl N-[1-[1-(3-chloroanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841892
tert-butyl N-[1-[1-(4-ethoxyanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 55841773
tert-butyl N-[1-[1-(2-chloro-4,6-dimethylanilino)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60512452
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-sulfinic acid
CID 19706124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate (CID 60512573) is tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate is CC1CCC(NC(=O)C(C)N2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
The InChIKey is BKKVCBJAKIIDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O3/c1-14-6-8-16(9-7-14)21-18(24)15(2)23-12-10-17(11-13-23)22-19(25)26-20(3,4)5/h14-17H,6-13H2,1-5H3,(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate has a molecular weight of 367.53 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]piperidin-4-yl]carbamate is sourced from PubChem (CID 60512573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).