(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide

C25H29N5O4 — CID 35120993

IUPAC(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C2(CCCCC2)O1
InChIInChI=1S/C25H29N5O4/c31-21-17-20(25(34-21)8-2-1-3-9-25)22(32)28-19-7-4-6-18(16-19)23(33)29-12-14-30(15-13-29)24-26-10-5-11-27-24/h4-7,10-11,16,20H,1-3,8-9,12-15,17H2,(H,28,32)/t20-/m0/s1
InChIKeyMJNBAKXAXWWWFE-FQEVSTJZSA-N
MW463.54 g/mol
LogP2.64
Rot. Bonds4

About (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide

(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 35120993) has the molecular formula C25H29N5O4 and a molecular weight of 463.54 g/mol. Its IUPAC name is (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID35120993
Molecular FormulaC25H29N5O4
Molecular Weight463.54 g/mol
Exact Mass463.22
IUPAC Name(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C2(CCCCC2)O1
InChIInChI=1S/C25H29N5O4/c31-21-17-20(25(34-21)8-2-1-3-9-25)22(32)28-19-7-4-6-18(16-19)23(33)29-12-14-30(15-13-29)24-26-10-5-11-27-24/h4-7,10-11,16,20H,1-3,8-9,12-15,17H2,(H,28,32)/t20-/m0/s1
InChIKeyMJNBAKXAXWWWFE-FQEVSTJZSA-N
XLogP2.64
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 40520371
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
(4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7343698
2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131892168
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
(3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4993620
N-[3-[4-(5-chloropyrimidin-4-yl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 100610600
N-[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 46559932
piperidin-1-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109081080
6-[3-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136539
(2S)-N-[3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 32678870

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide (CID 35120993) is (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide is O=C1C[C@@H](C(=O)Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)c2)C2(CCCCC2)O1.
What is the InChIKey of (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is MJNBAKXAXWWWFE-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H29N5O4/c31-21-17-20(25(34-21)8-2-1-3-9-25)22(32)28-19-7-4-6-18(16-19)23(33)29-12-14-30(15-13-29)24-26-10-5-11-27-24/h4-7,10-11,16,20H,1-3,8-9,12-15,17H2,(H,28,32)/t20-/m0/s1.
What are the key properties of (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide?
(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 35120993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).