N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide

C20H29N5O3 — CID 70747856

IUPACN-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C20H29N5O3/c26-18(16-12-21-17(13-6-7-13)24-19(16)27)22-15-8-10-25(11-9-15)20(28)23-14-4-2-1-3-5-14/h12-15H,1-11H2,(H,22,26)(H,23,28)(H,21,24,27)
InChIKeyXTEOGDGOWLPJOR-UHFFFAOYSA-N
MW387.48 g/mol
LogP1.88
Rot. Bonds4

About N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70747856) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70747856
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC NameN-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cnc(C2CC2)[nH]c1=O
InChIInChI=1S/C20H29N5O3/c26-18(16-12-21-17(13-6-7-13)24-19(16)27)22-15-8-10-25(11-9-15)20(28)23-14-4-2-1-3-5-14/h12-15H,1-11H2,(H,22,26)(H,23,28)(H,21,24,27)
InChIKeyXTEOGDGOWLPJOR-UHFFFAOYSA-N
XLogP1.88
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 166253059
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
2-cyclopropyl-6-oxo-N-[(1R,2R)-2-phenylmethoxycyclopentyl]-1H-pyrimidine-5-carboxamide
CID 70737103
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclohexyl-4-[[2-(trifluoromethyl)furan-3-carbonyl]amino]piperidine-1-carboxamide
CID 154838352
2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 65390526
5-[(3R)-3-(2-chlorophenyl)pyrrolidine-1-carbonyl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 126435275
N-cyclopentyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605548
4-(cyclobutanecarbonylamino)-N-cyclopentylpiperidine-1-carboxamide
CID 110822528
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
N-cycloheptyl-4-thiophen-3-ylpiperidine-1-carboxamide
CID 90522920

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 70747856) is N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC1CCN(C(=O)NC2CCCCC2)CC1)c1cnc(C2CC2)[nH]c1=O.
What is the InChIKey of N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XTEOGDGOWLPJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c26-18(16-12-21-17(13-6-7-13)24-19(16)27)22-15-8-10-25(11-9-15)20(28)23-14-4-2-1-3-5-14/h12-15H,1-11H2,(H,22,26)(H,23,28)(H,21,24,27).
What are the key properties of N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70747856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).