(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one

C19H22N4O2 — CID 99936115

IUPAC(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
SMILESCCCc1ncncc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-2-6-16-15(12-20-13-22-16)19(25)23-10-9-21-18(24)17(23)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,17H,2,6,9-11H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyWHGQHNXRVXPFDS-KRWDZBQOSA-N
MW338.41 g/mol
LogP1.61
Rot. Bonds5

About (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one

(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one (PubChem CID 99936115) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
PubChem CID99936115
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one
SMILESCCCc1ncncc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C19H22N4O2/c1-2-6-16-15(12-20-13-22-16)19(25)23-10-9-21-18(24)17(23)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,17H,2,6,9-11H2,1H3,(H,21,24)/t17-/m0/s1
InChIKeyWHGQHNXRVXPFDS-KRWDZBQOSA-N
XLogP1.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45238924
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
(3S)-3-benzyl-4-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)piperazin-2-one
CID 99928818
3-benzyl-4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-2-one
CID 45195008
(3R)-3-benzyl-4-(4-propan-2-yl-1,3-thiazole-2-carbonyl)piperazin-2-one
CID 29084883
3-benzyl-4-(2-methyl-1-benzofuran-7-carbonyl)piperazin-2-one
CID 74236865
(3R)-3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one
CID 39814953
3-benzyl-4-(4-methyl-3-phenyl-1H-pyrazole-5-carbonyl)piperazin-2-one
CID 74246405
3-benzyl-4-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperazin-2-one
CID 45232095
2-benzyl-N-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 74240827
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one?
The IUPAC name of (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one (CID 99936115) is (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one?
The canonical SMILES for (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one is CCCc1ncncc1C(=O)N1CCNC(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one?
The InChIKey is WHGQHNXRVXPFDS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-6-16-15(12-20-13-22-16)19(25)23-10-9-21-18(24)17(23)11-14-7-4-3-5-8-14/h3-5,7-8,12-13,17H,2,6,9-11H2,1H3,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one?
(3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one has a molecular weight of 338.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-4-(4-propylpyrimidine-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 99936115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).