1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

C25H36N6O — CID 53062035

IUPAC1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCCN1CCN(CCNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)CC1
InChIInChI=1S/C25H36N6O/c1-2-11-29-15-17-30(18-16-29)14-10-26-25(32)22-8-12-31(13-9-22)24-19-23(27-20-28-24)21-6-4-3-5-7-21/h3-7,19-20,22H,2,8-18H2,1H3,(H,26,32)
InChIKeyXUXDERSLYRALSV-UHFFFAOYSA-N
MW436.60 g/mol
LogP2.50
Rot. Bonds8

About 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 53062035) has the molecular formula C25H36N6O and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID53062035
Molecular FormulaC25H36N6O
Molecular Weight436.60 g/mol
Exact Mass436.30
IUPAC Name1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESCCCN1CCN(CCNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)CC1
InChIInChI=1S/C25H36N6O/c1-2-11-29-15-17-30(18-16-29)14-10-26-25(32)22-8-12-31(13-9-22)24-19-23(27-20-28-24)21-6-4-3-5-7-21/h3-7,19-20,22H,2,8-18H2,1H3,(H,26,32)
InChIKeyXUXDERSLYRALSV-UHFFFAOYSA-N
XLogP2.50
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-propylpiperidine-4-carboxamide
CID 53005508
N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-hexylpiperidine-4-carboxamide
CID 53005503
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 90519014
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520
N-[(4-methylsulfanylphenyl)methyl]-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062037
1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062051
1-[6-(3-methylphenyl)pyrimidin-4-yl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 53062120
N-(3-ethoxypropyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062132
1-(6-phenylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 90518968

Frequently Asked Questions

What is the IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (CID 53062035) is 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is CCCN1CCN(CCNC(=O)C2CCN(c3cc(-c4ccccc4)ncn3)CC2)CC1.
What is the InChIKey of 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is XUXDERSLYRALSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N6O/c1-2-11-29-15-17-30(18-16-29)14-10-26-25(32)22-8-12-31(13-9-22)24-19-23(27-20-28-24)21-6-4-3-5-7-21/h3-7,19-20,22H,2,8-18H2,1H3,(H,26,32).
What are the key properties of 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-phenylpyrimidin-4-yl)-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 53062035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).