N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide

C21H26N4O3 — CID 50781728

IUPACN-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCc1c(N2CCC(C(=O)NC3CC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-14-18(24-12-10-15(11-13-24)19(26)22-16-8-9-16)20(27)23(2)21(28)25(14)17-6-4-3-5-7-17/h3-7,15-16H,8-13H2,1-2H3,(H,22,26)
InChIKeyRFDAVOVHOMDLAI-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.34
Rot. Bonds4

About N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide

N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide (PubChem CID 50781728) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
PubChem CID50781728
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
SMILESCc1c(N2CCC(C(=O)NC3CC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1
InChIInChI=1S/C21H26N4O3/c1-14-18(24-12-10-15(11-13-24)19(26)22-16-8-9-16)20(27)23(2)21(28)25(14)17-6-4-3-5-7-17/h3-7,15-16H,8-13H2,1-2H3,(H,22,26)
InChIKeyRFDAVOVHOMDLAI-UHFFFAOYSA-N
XLogP1.34
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-(3-fluoro-4-methylphenyl)piperidine-4-carboxamide
CID 46324206
1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)-N-[(2R)-1-morpholin-4-ylbutan-2-yl]piperidine-4-carboxamide
CID 92869473
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1-ethyl-4-methyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 50781737
3,6-dimethyl-5-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylpyrimidine-2,4-dione
CID 20933006
5-(4-benzylsulfonylpiperazin-1-yl)-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
CID 20933008
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
1-methyl-N-(1-phenylpiperidin-3-yl)piperidine-4-carboxamide
CID 167845265
N-(2,6-dimethylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152337
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
N-cyclopropyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53005520

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide (CID 50781728) is N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide is Cc1c(N2CCC(C(=O)NC3CC3)CC2)c(=O)n(C)c(=O)n1-c1ccccc1.
What is the InChIKey of N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
The InChIKey is RFDAVOVHOMDLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-14-18(24-12-10-15(11-13-24)19(26)22-16-8-9-16)20(27)23(2)21(28)25(14)17-6-4-3-5-7-17/h3-7,15-16H,8-13H2,1-2H3,(H,22,26).
What are the key properties of N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide?
N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(1,4-dimethyl-2,6-dioxo-3-phenylpyrimidin-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50781728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).