methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate

C22H28N2O2 — CID 134801546

IUPACmethyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1
InChIInChI=1S/C22H28N2O2/c1-16-11-17(2)13-20(12-16)19-8-6-18(7-9-19)14-24-10-4-5-21(15-24)23-22(25)26-3/h6-9,11-13,21H,4-5,10,14-15H2,1-3H3,(H,23,25)
InChIKeyKMJHEHAKCOBSIC-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.29
Rot. Bonds4

About methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate

methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate (PubChem CID 134801546) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
PubChem CID134801546
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Namemethyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate
SMILESCOC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1
InChIInChI=1S/C22H28N2O2/c1-16-11-17(2)13-20(12-16)19-8-6-18(7-9-19)14-24-10-4-5-21(15-24)23-22(25)26-3/h6-9,11-13,21H,4-5,10,14-15H2,1-3H3,(H,23,25)
InChIKeyKMJHEHAKCOBSIC-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134801576
2-chloro-N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134802067
tert-butyl N-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 75994006
1-cyclopentyl-3-[1-[[4-(3-methoxyphenyl)phenyl]methyl]piperidin-3-yl]urea
CID 134802563
tert-butyl N-[(3R)-1-[(4-bromo-3,5-dimethylphenyl)methyl]piperidin-3-yl]carbamate
CID 170919239
1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea
CID 134799472
CID 134803999
CID 134803999
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 62535196
N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
CID 55645284
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate (CID 134801546) is methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate is COC(=O)NC1CCCN(Cc2ccc(-c3cc(C)cc(C)c3)cc2)C1.
What is the InChIKey of methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate?
The InChIKey is KMJHEHAKCOBSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-11-17(2)13-20(12-16)19-8-6-18(7-9-19)14-24-10-4-5-21(15-24)23-22(25)26-3/h6-9,11-13,21H,4-5,10,14-15H2,1-3H3,(H,23,25).
What are the key properties of methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate?
methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate has a molecular weight of 352.48 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 134801546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).