N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

C21H26N4O2 — CID 90519154

IUPACN-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C21H26N4O2/c26-21(22-13-18-9-5-11-27-18)17-8-4-10-25(14-17)20-12-19(23-15-24-20)16-6-2-1-3-7-16/h1-3,6-7,12,15,17-18H,4-5,8-11,13-14H2,(H,22,26)
InChIKeyJKICEHWTZYHHMH-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.66
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide

N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (PubChem CID 90519154) has the molecular formula C21H26N4O2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
PubChem CID90519154
Molecular FormulaC21H26N4O2
Molecular Weight366.46 g/mol
Exact Mass366.21
IUPAC NameN-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
SMILESO=C(NCC1CCCO1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1
InChIInChI=1S/C21H26N4O2/c26-21(22-13-18-9-5-11-27-18)17-8-4-10-25(14-17)20-12-19(23-15-24-20)16-6-2-1-3-7-16/h1-3,6-7,12,15,17-18H,4-5,8-11,13-14H2,(H,22,26)
InChIKeyJKICEHWTZYHHMH-UHFFFAOYSA-N
XLogP2.66
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-(cyclopropanecarbonylamino)benzoyl]amino]ethyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519401
N-(4-bromophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519264
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 92897876
N-(4-bromo-2-methylphenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519272
N-(2,5-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519275
N-(4-methyl-2-pyridinyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519369
N-(2,4-dichlorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519285
1-(6-phenylpyrimidin-4-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 90519234
1-(6-phenylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 102549329
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-[2-(4-methoxyphenyl)ethyl]-1-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90519783
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519241

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide (CID 90519154) is N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is O=C(NCC1CCCO1)C1CCCN(c2cc(-c3ccccc3)ncn2)C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
The InChIKey is JKICEHWTZYHHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21(22-13-18-9-5-11-27-18)17-8-4-10-25(14-17)20-12-19(23-15-24-20)16-6-2-1-3-7-16/h1-3,6-7,12,15,17-18H,4-5,8-11,13-14H2,(H,22,26).
What are the key properties of N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide?
N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90519154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).