(5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one

C16H23N5O2 — CID 97125444

IUPAC(5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O
InChIInChI=1S/C16H23N5O2/c1-2-19-12-13(4-5-14(19)22)15(23)20-8-10-21(11-9-20)16-17-6-3-7-18-16/h3,6-7,13H,2,4-5,8-12H2,1H3/t13-/m0/s1
InChIKeyXBKPYVXVSDNFDR-ZDUSSCGKSA-N
MW317.39 g/mol
LogP0.38
Rot. Bonds3

About (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one

(5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one (PubChem CID 97125444) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one
PubChem CID97125444
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name(5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one
SMILESCCN1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O
InChIInChI=1S/C16H23N5O2/c1-2-19-12-13(4-5-14(19)22)15(23)20-8-10-21(11-9-20)16-17-6-3-7-18-16/h3,6-7,13H,2,4-5,8-12H2,1H3/t13-/m0/s1
InChIKeyXBKPYVXVSDNFDR-ZDUSSCGKSA-N
XLogP0.38
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Buspirone
CID 2477
Buspirone Hydrochloride
CID 36431
Gepirone
CID 55191
Gepirone monohydrochloride
CID 55190
Sunepitron
CID 183092
8-[3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl]-8-azaspiro[4.5]decane-7,9-dione
CID 4713258
1-{4-[4-(5-Fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butyl}-4,4-dimethyl-piperidine-2,6-dione
CID 13254321
8-[3-(4-Pyrimidin-2-ylpiperazin-1-yl)propoxy]-8-azaspiro[4.5]decane-7,9-dione
CID 14280591
8-[2-(4-Pyrimidin-2-ylpiperazin-1-yl)ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 21517011
Tert-butyl 4-(1-(pyrimidin-2-yl)piperidin-4-yl)piperidine-1-carboxylate
CID 54580903
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
Piperazine, 1-(2-acetyl-1-oxohexyl)-4-(2-pyrimidinyl)-
CID 3074862

Frequently Asked Questions

What is the IUPAC name of (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The IUPAC name of (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one (CID 97125444) is (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one.
What is the SMILES notation for (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The canonical SMILES for (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one is CCN1C[C@@H](C(=O)N2CCN(c3ncccn3)CC2)CCC1=O.
What is the InChIKey of (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
The InChIKey is XBKPYVXVSDNFDR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-2-19-12-13(4-5-14(19)22)15(23)20-8-10-21(11-9-20)16-17-6-3-7-18-16/h3,6-7,13H,2,4-5,8-12H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one?
(5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one has a molecular weight of 317.39 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-ethyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 97125444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).