methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate

C18H21N3O2 — CID 174487288

IUPACmethyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(c2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H21N3O2/c1-23-18(22)19-15-10-12-21(13-11-15)17-9-5-8-16(20-17)14-6-3-2-4-7-14/h2-9,15H,10-13H2,1H3,(H,19,22)
InChIKeyDBSVHOWBFDOJPN-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.07
Rot. Bonds3

About methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate

methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate (PubChem CID 174487288) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate
PubChem CID174487288
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Namemethyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(c2cccc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H21N3O2/c1-23-18(22)19-15-10-12-21(13-11-15)17-9-5-8-16(20-17)14-6-3-2-4-7-14/h2-9,15H,10-13H2,1H3,(H,19,22)
InChIKeyDBSVHOWBFDOJPN-UHFFFAOYSA-N
XLogP3.07
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate (CID 174487288) is methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(c2cccc(-c3ccccc3)n2)CC1.
What is the InChIKey of methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate?
The InChIKey is DBSVHOWBFDOJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-18(22)19-15-10-12-21(13-11-15)17-9-5-8-16(20-17)14-6-3-2-4-7-14/h2-9,15H,10-13H2,1H3,(H,19,22).
What are the key properties of methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate?
methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 174487288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).