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

C22H28N2O4 — CID 40520371

IUPAC(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)C2(CCCCC2)O1
InChIInChI=1S/C22H28N2O4/c25-19-15-18(22(28-19)11-3-1-4-12-22)20(26)23-17-9-7-16(8-10-17)21(27)24-13-5-2-6-14-24/h7-10,18H,1-6,11-15H2,(H,23,26)/t18-/m0/s1
InChIKeyAXSXSQCPFDWCKG-SFHVURJKSA-N
MW384.48 g/mol
LogP3.52
Rot. Bonds3

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

(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 40520371) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID40520371
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)C2(CCCCC2)O1
InChIInChI=1S/C22H28N2O4/c25-19-15-18(22(28-19)11-3-1-4-12-22)20(26)23-17-9-7-16(8-10-17)21(27)24-13-5-2-6-14-24/h7-10,18H,1-6,11-15H2,(H,23,26)/t18-/m0/s1
InChIKeyAXSXSQCPFDWCKG-SFHVURJKSA-N
XLogP3.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7343698
(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 35120993
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
2-oxo-N-(3-pyrazol-1-ylphenyl)-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131892168
1-cyano-N-[4-(pyrrolidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 31816749
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
(1S,6S)-6-[[4-(piperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 1080158
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136538
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064

Frequently Asked Questions

What is the IUPAC name of (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide (CID 40520371) is (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide is O=C1C[C@@H](C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)C2(CCCCC2)O1.
What is the InChIKey of (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is AXSXSQCPFDWCKG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O4/c25-19-15-18(22(28-19)11-3-1-4-12-22)20(26)23-17-9-7-16(8-10-17)21(27)24-13-5-2-6-14-24/h7-10,18H,1-6,11-15H2,(H,23,26)/t18-/m0/s1.
What are the key properties of (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide?
(4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-oxo-N-[4-(piperidine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 40520371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).