N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide

C23H36N6O2 — CID 60598944

IUPACN-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H36N6O2/c1-18(22(31)28-14-16-29(17-15-28)23-24-10-5-11-25-23)27-12-8-19(9-13-27)21(30)26-20-6-3-2-4-7-20/h5,10-11,18-20H,2-4,6-9,12-17H2,1H3,(H,26,30)
InChIKeyFDXSWKCKWQWKLG-UHFFFAOYSA-N
MW428.58 g/mol
LogP1.67
Rot. Bonds5

About N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide

N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide (PubChem CID 60598944) has the molecular formula C23H36N6O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide
PubChem CID60598944
Molecular FormulaC23H36N6O2
Molecular Weight428.58 g/mol
Exact Mass428.29
IUPAC NameN-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide
SMILESCC(C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H36N6O2/c1-18(22(31)28-14-16-29(17-15-28)23-24-10-5-11-25-23)27-12-8-19(9-13-27)21(30)26-20-6-3-2-4-7-20/h5,10-11,18-20H,2-4,6-9,12-17H2,1H3,(H,26,30)
InChIKeyFDXSWKCKWQWKLG-UHFFFAOYSA-N
XLogP1.67
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
N-[3-methyl-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-2-yl]cyclohexanecarboxamide
CID 18135389
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
1-(2-methyl-3-methylsulfanylpropanoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 136540184
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
(3S)-N-cycloheptyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452540
(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8542107
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 8542153
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-cyclohexyl-1-(2-piperidin-1-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53146198
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide (CID 60598944) is N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide is CC(C(=O)N1CCN(c2ncccn2)CC1)N1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide?
The InChIKey is FDXSWKCKWQWKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O2/c1-18(22(31)28-14-16-29(17-15-28)23-24-10-5-11-25-23)27-12-8-19(9-13-27)21(30)26-20-6-3-2-4-7-20/h5,10-11,18-20H,2-4,6-9,12-17H2,1H3,(H,26,30).
What are the key properties of N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide?
N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 60598944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).