N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

C22H22N4O2 — CID 652265

IUPACN-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22N4O2/c27-21(17-11-15-26(16-12-17)22-23-13-4-14-24-22)25-18-7-9-20(10-8-18)28-19-5-2-1-3-6-19/h1-10,13-14,17H,11-12,15-16H2,(H,25,27)
InChIKeySPEUPCBWEHYOSO-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.12
Rot. Bonds5

About N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 652265) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID652265
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C22H22N4O2/c27-21(17-11-15-26(16-12-17)22-23-13-4-14-24-22)25-18-7-9-20(10-8-18)28-19-5-2-1-3-6-19/h1-10,13-14,17H,11-12,15-16H2,(H,25,27)
InChIKeySPEUPCBWEHYOSO-UHFFFAOYSA-N
XLogP4.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 5328641
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C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30
CID 5330216
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57
CID 5330243
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 59
CID 5330245
1-[4-(2-Azanylpyrimidin-4-Yl)oxyphenyl]-3-[4-[(4-Methylpiperazin-1-Yl)methyl]-3-(Trifluoromethyl)phenyl]urea
CID 11260561
(2S)-2-{[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]formamido}-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 652265) is N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is SPEUPCBWEHYOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(17-11-15-26(16-12-17)22-23-13-4-14-24-22)25-18-7-9-20(10-8-18)28-19-5-2-1-3-6-19/h1-10,13-14,17H,11-12,15-16H2,(H,25,27).
What are the key properties of N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 652265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).