4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one

C20H23N5O3 — CID 56766002

IUPAC4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
SMILESO=C(C1COCC(=O)N1Cc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N5O3/c26-18-15-28-14-17(25(18)13-16-5-2-1-3-6-16)19(27)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h1-8,17H,9-15H2
InChIKeyYPTOBEAVQOSHGR-UHFFFAOYSA-N
MW381.44 g/mol
LogP0.55
Rot. Bonds4

About 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one

4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one (PubChem CID 56766002) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
PubChem CID56766002
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one
SMILESO=C(C1COCC(=O)N1Cc1ccccc1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N5O3/c26-18-15-28-14-17(25(18)13-16-5-2-1-3-6-16)19(27)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h1-8,17H,9-15H2
InChIKeyYPTOBEAVQOSHGR-UHFFFAOYSA-N
XLogP0.55
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyrimidin-2-yl-acetamide
CID 14330383
4-{4-[4-(3-Phenyl-pyridin-2-yl)-piperazin-1-yl]-butyl}-morpholine-3,5-dione
CID 14371235
N-hydroxy-2-[4-[(E)-1-morpholin-4-yl-1-oxo-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 46225968
1-methyl-3-[4-(6-oxo-6a,7,9,10-tetrahydro-5H-[1,4]oxazino[3,4-h]pteridin-2-yl)phenyl]urea
CID 68194826
N-benzyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 2546490
6-Methyl-2-morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one
CID 3233194
2-Morpholin-4-yl-8-(2-phenylethyl)pteridin-7-one
CID 3233256
8-[(4-Fluorophenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3235236
[9-[(4-Chlorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-pyrimidin-2-ylmethanone
CID 52943921
3-Benzyl-9-(pyrimidine-2-carbonyl)-3,9-diazaspiro[5.5]undecane
CID 52945255
3-(4-Benzylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109026957
1-[4-[5-(Cyclopropylmethyl)-6-oxo-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-2-yl]phenyl]-3-methylurea
CID 155564488

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one?
The IUPAC name of 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one (CID 56766002) is 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one?
The canonical SMILES for 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one is O=C(C1COCC(=O)N1Cc1ccccc1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one?
The InChIKey is YPTOBEAVQOSHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c26-18-15-28-14-17(25(18)13-16-5-2-1-3-6-16)19(27)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h1-8,17H,9-15H2.
What are the key properties of 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one?
4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one has a molecular weight of 381.44 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)morpholin-3-one is sourced from PubChem (CID 56766002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).