1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione

C17H23N5O3 — CID 99929057

IUPAC1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C17H23N5O3/c23-15-6-11-20(17(25)19-15)12-7-16(24)22-10-2-1-4-14(22)5-13-21-9-3-8-18-21/h3,6,8-9,11,14H,1-2,4-5,7,10,12-13H2,(H,19,23,25)/t14-/m0/s1
InChIKeyKEUBNXXBFHTYIE-AWEZNQCLSA-N
MW345.40 g/mol
LogP0.59
Rot. Bonds6

About 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione

1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione (PubChem CID 99929057) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
PubChem CID99929057
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione
SMILESO=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C17H23N5O3/c23-15-6-11-20(17(25)19-15)12-7-16(24)22-10-2-1-4-14(22)5-13-21-9-3-8-18-21/h3,6,8-9,11,14H,1-2,4-5,7,10,12-13H2,(H,19,23,25)/t14-/m0/s1
InChIKeyKEUBNXXBFHTYIE-AWEZNQCLSA-N
XLogP0.59
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[3-[2-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 46990239
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347
3-[3-oxo-3-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]-1H-quinoxalin-2-one
CID 97140516
3-(3,4-difluorophenyl)-1-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 70742954
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
6-methyl-4-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 99932907
3-[2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-quinolin-2-one
CID 77086103
1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126439146
2-(7-fluoro-2-methyl-1H-indol-3-yl)-1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethanone
CID 97155486
1-[3-[2-(hydroxymethyl)azepan-1-yl]-3-oxopropyl]pyridin-2-one
CID 116636217
3-[(2R)-1-(2-pyrazol-1-ylacetyl)piperidin-2-yl]propanoic acid
CID 94373970

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione (CID 99929057) is 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione is O=C(CCn1ccc(=O)[nH]c1=O)N1CCCC[C@H]1CCn1cccn1.
What is the InChIKey of 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione?
The InChIKey is KEUBNXXBFHTYIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-15-6-11-20(17(25)19-15)12-7-16(24)22-10-2-1-4-14(22)5-13-21-9-3-8-18-21/h3,6,8-9,11,14H,1-2,4-5,7,10,12-13H2,(H,19,23,25)/t14-/m0/s1.
What are the key properties of 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione?
1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 99929057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).