6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

C20H21N5O3 — CID 95218749

IUPAC6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1
InChIInChI=1S/C20H21N5O3/c26-17-10-16(22-20(28)23-17)19(27)25-8-4-7-14(12-25)18-15(11-21-24-18)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,21,24)(H2,22,23,26,28)/t14-/m1/s1
InChIKeyPKJAUTRROVCTOZ-CQSZACIVSA-N
MW379.42 g/mol
LogP1.40
Rot. Bonds4

About 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione

6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 95218749) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
PubChem CID95218749
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
SMILESO=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1
InChIInChI=1S/C20H21N5O3/c26-17-10-16(22-20(28)23-17)19(27)25-8-4-7-14(12-25)18-15(11-21-24-18)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,21,24)(H2,22,23,26,28)/t14-/m1/s1
InChIKeyPKJAUTRROVCTOZ-CQSZACIVSA-N
XLogP1.40
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95228413
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95225899
2-amino-1-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95207545
3-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 95204664
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 56700469
(1-aminocyclopropyl)-[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95197421
2-amino-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 56740582
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 70746215
[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 126467483
[(3S)-3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95188191
3-(4-benzyl-1H-pyrazol-5-yl)-1-cyclohexylpiperidine
CID 56855128
6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110133733

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 95218749) is 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCC[C@@H](c2[nH]ncc2Cc2ccccc2)C1.
What is the InChIKey of 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
The InChIKey is PKJAUTRROVCTOZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-17-10-16(22-20(28)23-17)19(27)25-8-4-7-14(12-25)18-15(11-21-24-18)9-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,21,24)(H2,22,23,26,28)/t14-/m1/s1.
What are the key properties of 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione?
6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 379.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95218749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).