methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate

C16H24N2O2 — CID 110403986

IUPACmethyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
SMILESCOC(=O)NCC(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)17-13-15(18-10-6-3-7-11-18)12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,17,19)
InChIKeyNRPVKJBVJUFGIR-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.44
Rot. Bonds5

About methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate

methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate (PubChem CID 110403986) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
PubChem CID110403986
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate
SMILESCOC(=O)NCC(Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C16H24N2O2/c1-20-16(19)17-13-15(18-10-6-3-7-11-18)12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,17,19)
InChIKeyNRPVKJBVJUFGIR-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-phenyl-2-piperidin-1-ylpropyl)cyclopropanecarboxamide
CID 110403968
1-benzyl-3-(3-phenyl-2-pyrrolidin-1-ylpropyl)urea
CID 110403915
3-acetamido-N-(3-phenyl-2-piperidin-1-ylpropyl)propanamide
CID 110420824
2-(2-methoxyphenoxy)-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)acetamide
CID 110403913
2-cyclopropyl-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)propanamide
CID 110611083
N-(3-phenyl-2-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 110403885
N-[2-(4-methylpiperazin-1-yl)-3-phenylpropyl]cyclopentanecarboxamide
CID 110404018
1-(oxan-4-yl)-3-(3-phenyl-2-piperidin-1-ylpropyl)urea
CID 110611113
benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
CID 110403830
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
2-(dimethylamino)-N-(3-phenyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 110617732
3-fluoro-N-(3-phenyl-2-pyrrolidin-1-ylpropyl)benzamide
CID 110403888

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate?
The IUPAC name of methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate (CID 110403986) is methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate.
What is the SMILES notation for methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate?
The canonical SMILES for methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate is COC(=O)NCC(Cc1ccccc1)N1CCCCC1.
What is the InChIKey of methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate?
The InChIKey is NRPVKJBVJUFGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-16(19)17-13-15(18-10-6-3-7-11-18)12-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3,(H,17,19).
What are the key properties of methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate?
methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate has a molecular weight of 276.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-phenyl-2-piperidin-1-ylpropyl)carbamate is sourced from PubChem (CID 110403986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).