N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide

C18H22N4O — CID 118450691

IUPACN,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cncnc2-c2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c1-21(2)18(23)15-8-10-22(11-9-15)16-12-19-13-20-17(16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyIQZNQZQMHHONLF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.45
Rot. Bonds3

About N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide

N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 118450691) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID118450691
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(c2cncnc2-c2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c1-21(2)18(23)15-8-10-22(11-9-15)16-12-19-13-20-17(16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3
InChIKeyIQZNQZQMHHONLF-UHFFFAOYSA-N
XLogP2.45
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide (CID 118450691) is N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide is CN(C)C(=O)C1CCN(c2cncnc2-c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is IQZNQZQMHHONLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21(2)18(23)15-8-10-22(11-9-15)16-12-19-13-20-17(16)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-phenylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 118450691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).