2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide

C19H24N4O3 — CID 95722570

IUPAC2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c24-17(16-12-20-19(26)22-18(16)25)21-15-9-5-11-23(13-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H,21,24)(H2,20,22,25,26)/t15-/m0/s1
InChIKeyFEZRKFGALNPYIS-HNNXBMFYSA-N
MW356.43 g/mol
LogP0.89
Rot. Bonds6

About 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide (PubChem CID 95722570) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
PubChem CID95722570
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C19H24N4O3/c24-17(16-12-20-19(26)22-18(16)25)21-15-9-5-11-23(13-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H,21,24)(H2,20,22,25,26)/t15-/m0/s1
InChIKeyFEZRKFGALNPYIS-HNNXBMFYSA-N
XLogP0.89
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
2-(4-hydroxypiperidin-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42191572
4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
CID 45178007
[(3R)-1-(3-phenylpropyl)pyrrolidin-3-yl]carbamic acid
CID 154457780
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 136917886
methyl 3-[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 25486979
4-oxo-4-phenyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 56702621
2-(cyclohexen-1-yl)-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 42457135
4-methyl-3-(2-oxoimidazolidin-1-yl)-N-[1-(3-phenylpropyl)piperidin-3-yl]benzamide
CID 56722277
ethyl 3,5-dimethyl-4-[[1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]-1H-pyrrole-2-carboxylate
CID 45210431
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide (CID 95722570) is 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide is O=C(N[C@H]1CCCN(CCCc2ccccc2)C1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide?
The InChIKey is FEZRKFGALNPYIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-17(16-12-20-19(26)22-18(16)25)21-15-9-5-11-23(13-15)10-4-8-14-6-2-1-3-7-14/h1-3,6-7,12,15H,4-5,8-11,13H2,(H,21,24)(H2,20,22,25,26)/t15-/m0/s1.
What are the key properties of 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95722570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).