N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

C20H26N6O — CID 56921957

IUPACN-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C20H26N6O/c27-20(22-17-7-3-1-4-8-17)26-15-13-24(14-16-26)18-9-10-21-19(23-18)25-11-5-2-6-12-25/h1,3-4,7-10H,2,5-6,11-16H2,(H,22,27)
InChIKeyMCWLIXAIZFWCCT-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.82
Rot. Bonds3

About N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 56921957) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID56921957
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC NameN-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C20H26N6O/c27-20(22-17-7-3-1-4-8-17)26-15-13-24(14-16-26)18-9-10-21-19(23-18)25-11-5-2-6-12-25/h1,3-4,7-10H,2,5-6,11-16H2,(H,22,27)
InChIKeyMCWLIXAIZFWCCT-UHFFFAOYSA-N
XLogP2.82
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921370
N-(3-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56923346
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122344063
N-(2-fluorophenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920931
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122344066
4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 122343979
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-(2,4-dimethylphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921853
N-(2,3-dimethoxyphenyl)-4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 122343981
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879
(2-bromophenyl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344318

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 56921957) is N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is O=C(Nc1ccccc1)N1CCN(c2ccnc(N3CCCCC3)n2)CC1.
What is the InChIKey of N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is MCWLIXAIZFWCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-20(22-17-7-3-1-4-8-17)26-15-13-24(14-16-26)18-9-10-21-19(23-18)25-11-5-2-6-12-25/h1,3-4,7-10H,2,5-6,11-16H2,(H,22,27).
What are the key properties of N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 56921957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).