methyl N-(3-piperidin-1-ylphenyl)carbamate

C13H18N2O2 — CID 110362130

IUPACmethyl N-(3-piperidin-1-ylphenyl)carbamate
SMILESCOC(=O)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C13H18N2O2/c1-17-13(16)14-11-6-5-7-12(10-11)15-8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H,14,16)
InChIKeyDHZBIGRELUEPNS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.86
Rot. Bonds2

About methyl N-(3-piperidin-1-ylphenyl)carbamate

methyl N-(3-piperidin-1-ylphenyl)carbamate (PubChem CID 110362130) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is methyl N-(3-piperidin-1-ylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-piperidin-1-ylphenyl)carbamate
PubChem CID110362130
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namemethyl N-(3-piperidin-1-ylphenyl)carbamate
SMILESCOC(=O)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C13H18N2O2/c1-17-13(16)14-11-6-5-7-12(10-11)15-8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H,14,16)
InChIKeyDHZBIGRELUEPNS-UHFFFAOYSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-(3-pyrrolidin-1-ylphenyl)carbamate
CID 79345921
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
methyl N-[4-(4-piperidin-1-ylanilino)phenyl]carbamate
CID 112988794
2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
4-amino-N-[3-(azepan-1-yl)phenyl]pentanamide
CID 120565751
3-acetamido-N-(3-piperidin-1-ylphenyl)propanamide
CID 110426221
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
2-(2-aminoethoxy)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 79473484

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-piperidin-1-ylphenyl)carbamate?
The IUPAC name of methyl N-(3-piperidin-1-ylphenyl)carbamate (CID 110362130) is methyl N-(3-piperidin-1-ylphenyl)carbamate.
What is the SMILES notation for methyl N-(3-piperidin-1-ylphenyl)carbamate?
The canonical SMILES for methyl N-(3-piperidin-1-ylphenyl)carbamate is COC(=O)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of methyl N-(3-piperidin-1-ylphenyl)carbamate?
The InChIKey is DHZBIGRELUEPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-13(16)14-11-6-5-7-12(10-11)15-8-3-2-4-9-15/h5-7,10H,2-4,8-9H2,1H3,(H,14,16).
What are the key properties of methyl N-(3-piperidin-1-ylphenyl)carbamate?
methyl N-(3-piperidin-1-ylphenyl)carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-piperidin-1-ylphenyl)carbamate is sourced from PubChem (CID 110362130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).