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

C23H30N2O4 — CID 7343698

IUPAC(4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)cc2)CC1
InChIInChI=1S/C23H30N2O4/c1-16-9-13-25(14-10-16)22(28)17-5-7-18(8-6-17)24-21(27)19-15-20(26)29-23(19)11-3-2-4-12-23/h5-8,16,19H,2-4,9-15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyXDFUUUCUPJEBLM-IBGZPJMESA-N
MW398.50 g/mol
LogP3.76
Rot. Bonds3

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

(4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (PubChem CID 7343698) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
PubChem CID7343698
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name(4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)cc2)CC1
InChIInChI=1S/C23H30N2O4/c1-16-9-13-25(14-10-16)22(28)17-5-7-18(8-6-17)24-21(27)19-15-20(26)29-23(19)11-3-2-4-12-23/h5-8,16,19H,2-4,9-15H2,1H3,(H,24,27)/t19-/m0/s1
InChIKeyXDFUUUCUPJEBLM-IBGZPJMESA-N
XLogP3.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-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
(4R)-2-oxo-N-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 35120993
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
N-(3-methylphenyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 2956170
(1S,6S)-6-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 52506416
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
2-[cyclohexyl(methyl)amino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54817465
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
2-chloro-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 17179593
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The IUPAC name of (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide (CID 7343698) is (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC(=O)OC34CCCCC4)cc2)CC1.
What is the InChIKey of (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
The InChIKey is XDFUUUCUPJEBLM-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16-9-13-25(14-10-16)22(28)17-5-7-18(8-6-17)24-21(27)19-15-20(26)29-23(19)11-3-2-4-12-23/h5-8,16,19H,2-4,9-15H2,1H3,(H,24,27)/t19-/m0/s1.
What are the key properties of (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide?
(4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 7343698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).