oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone

C21H24N4O4 — CID 121168031

IUPACoxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(OCc2ccccc2)ncn1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C21H24N4O4/c26-20(24-8-10-25(11-9-24)21(27)18-7-4-12-28-18)17-13-19(23-15-22-17)29-14-16-5-2-1-3-6-16/h1-3,5-6,13,15,18H,4,7-12,14H2
InChIKeyLOEHDHBBUWIQPE-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.52
Rot. Bonds5

About oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone (PubChem CID 121168031) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone
PubChem CID121168031
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Nameoxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(OCc2ccccc2)ncn1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C21H24N4O4/c26-20(24-8-10-25(11-9-24)21(27)18-7-4-12-28-18)17-13-19(23-15-22-17)29-14-16-5-2-1-3-6-16/h1-3,5-6,13,15,18H,4,7-12,14H2
InChIKeyLOEHDHBBUWIQPE-UHFFFAOYSA-N
XLogP1.52
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-phenylmethoxypyrimidine-4-carbonyl)piperidine-4-carboxamide
CID 91816326
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
oxolan-2-yl-[4-[4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 47024168
(4-benzylpiperazin-1-yl)-(6-ethoxypyrimidin-4-yl)methanone
CID 121167503
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(6-phenylmethoxypyrimidin-4-yl)methanone
CID 121167892
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94150695
6-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 146088221
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40704929
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone (CID 121168031) is oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(OCc2ccccc2)ncn1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone?
The InChIKey is LOEHDHBBUWIQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-20(24-8-10-25(11-9-24)21(27)18-7-4-12-28-18)17-13-19(23-15-22-17)29-14-16-5-2-1-3-6-16/h1-3,5-6,13,15,18H,4,7-12,14H2.
What are the key properties of oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone has a molecular weight of 396.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(6-phenylmethoxypyrimidine-4-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 121168031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).