methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate

C20H27ClN2O3 — CID 163667030

IUPACmethyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate
SMILESCOC(=O)NC1(C)CC(C(=O)N2CCC(c3ccc(C)c(Cl)c3)CC2)C1
InChIInChI=1S/C20H27ClN2O3/c1-13-4-5-15(10-17(13)21)14-6-8-23(9-7-14)18(24)16-11-20(2,12-16)22-19(25)26-3/h4-5,10,14,16H,6-9,11-12H2,1-3H3,(H,22,25)
InChIKeyIZIWYNGBHPIVNI-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.88
Rot. Bonds3

About methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate

methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate (PubChem CID 163667030) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate
PubChem CID163667030
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Namemethyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate
SMILESCOC(=O)NC1(C)CC(C(=O)N2CCC(c3ccc(C)c(Cl)c3)CC2)C1
InChIInChI=1S/C20H27ClN2O3/c1-13-4-5-15(10-17(13)21)14-6-8-23(9-7-14)18(24)16-11-20(2,12-16)22-19(25)26-3/h4-5,10,14,16H,6-9,11-12H2,1-3H3,(H,22,25)
InChIKeyIZIWYNGBHPIVNI-UHFFFAOYSA-N
XLogP3.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864343
methyl 5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoate
CID 176580481
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
2-[4-(4-bromo-3-methylphenyl)piperidine-1-carbonyl]spiro[3.3]heptane-6-carbonitrile
CID 166226302
methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864304
cyclopropyl-[4-(3-methoxyphenyl)piperidin-1-yl]methanone
CID 51003388
methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864271
2-[4-(4-methylphenyl)piperidine-1-carbonyl]-6-oxaspiro[3.4]octan-7-one
CID 167608649
4-(4-methoxycarbonyl-3-methylphenyl)piperidine-1-carboxylic acid
CID 118628389
[3-(3,4-dichlorophenyl)pyrrolidin-1-yl]-[1-[(1-methylcyclopropyl)methyl]piperidin-4-yl]methanone
CID 123728555
4-(3-hydroxy-4-methylphenyl)piperidine-1-carboxylic acid
CID 166759957
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146300

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate (CID 163667030) is methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate is COC(=O)NC1(C)CC(C(=O)N2CCC(c3ccc(C)c(Cl)c3)CC2)C1.
What is the InChIKey of methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate?
The InChIKey is IZIWYNGBHPIVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-13-4-5-15(10-17(13)21)14-6-8-23(9-7-14)18(24)16-11-20(2,12-16)22-19(25)26-3/h4-5,10,14,16H,6-9,11-12H2,1-3H3,(H,22,25).
What are the key properties of methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate?
methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate has a molecular weight of 378.90 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate is sourced from PubChem (CID 163667030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).