1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

C19H21N5O3 — CID 99929713

IUPAC1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2C(=O)N2CCC[C@H](c3ccn[nH]3)C2)C(=O)N1
InChIInChI=1S/C19H21N5O3/c25-17-8-11-24(19(27)21-17)16-6-2-1-5-14(16)18(26)23-10-3-4-13(12-23)15-7-9-20-22-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,20,22)(H,21,25,27)/t13-/m0/s1
InChIKeyIPWJFLKAAZJJAL-ZDUSSCGKSA-N
MW367.41 g/mol
LogP1.88
Rot. Bonds3

About 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione

1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 99929713) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID99929713
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccccc2C(=O)N2CCC[C@H](c3ccn[nH]3)C2)C(=O)N1
InChIInChI=1S/C19H21N5O3/c25-17-8-11-24(19(27)21-17)16-6-2-1-5-14(16)18(26)23-10-3-4-13(12-23)15-7-9-20-22-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,20,22)(H,21,25,27)/t13-/m0/s1
InChIKeyIPWJFLKAAZJJAL-ZDUSSCGKSA-N
XLogP1.88
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 95198872
1-[2-[(1S,5R)-10-oxo-3-oxa-7,9-diazabicyclo[3.3.2]decane-7-carbonyl]phenyl]-1,3-diazinane-2,4-dione
CID 155499404
(3-fluoro-2-methoxyphenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56757178
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-quinolin-5-ylmethanone
CID 71934250
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
[3-(2,2-dimethylpropylamino)-2-methylphenyl]-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126772863
(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61109383
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
2,3-dihydro-1H-inden-5-yl-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605887
2,2-difluoro-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 103514888
(1-phenylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 126466165
cyclopropyl-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 62866717

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione (CID 99929713) is 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccccc2C(=O)N2CCC[C@H](c3ccn[nH]3)C2)C(=O)N1.
What is the InChIKey of 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is IPWJFLKAAZJJAL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-17-8-11-24(19(27)21-17)16-6-2-1-5-14(16)18(26)23-10-3-4-13(12-23)15-7-9-20-22-15/h1-2,5-7,9,13H,3-4,8,10-12H2,(H,20,22)(H,21,25,27)/t13-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 367.41 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 99929713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).