[(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate

C17H22N4O4 — CID 118738545

IUPAC[(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate
SMILESCN1C(=O)[C@H](OC(N)=O)[C@@H](C(=O)Nc2ccccc2)C12CCNCC2
InChIInChI=1S/C17H22N4O4/c1-21-15(23)13(25-16(18)24)12(17(21)7-9-19-10-8-17)14(22)20-11-5-3-2-4-6-11/h2-6,12-13,19H,7-10H2,1H3,(H2,18,24)(H,20,22)/t12-,13+/m0/s1
InChIKeyFBRHKENVRWWSIU-QWHCGFSZSA-N
MW346.39 g/mol
LogP0.30
Rot. Bonds3

About [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate

[(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate (PubChem CID 118738545) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate.

Molecular Properties

Compound Name[(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate
PubChem CID118738545
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name[(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate
SMILESCN1C(=O)[C@H](OC(N)=O)[C@@H](C(=O)Nc2ccccc2)C12CCNCC2
InChIInChI=1S/C17H22N4O4/c1-21-15(23)13(25-16(18)24)12(17(21)7-9-19-10-8-17)14(22)20-11-5-3-2-4-6-11/h2-6,12-13,19H,7-10H2,1H3,(H2,18,24)(H,20,22)/t12-,13+/m0/s1
InChIKeyFBRHKENVRWWSIU-QWHCGFSZSA-N
XLogP0.30
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97449030
(3S)-1-methyl-2-oxo-N-phenylpyrrolidine-3-carboxamide
CID 129405236
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
dimethyl (2R,3S)-2-(phenylcarbamoyl)bicyclo[2.2.2]octane-1,3-dicarboxylate
CID 1398059
4-(2-methoxyethoxy)-N-phenylpiperidine-4-carboxamide
CID 123741902
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
3-amino-4-oxo-N-phenylazetidine-2-carboxamide
CID 14230695
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
N-(3-anilino-3-oxopropyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119785811
2,5-dioxo-N-phenylcyclopentane-1-carboxamide
CID 75388196
4-methoxy-N-[4-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 119756449
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate?
The IUPAC name of [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate (CID 118738545) is [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate.
What is the SMILES notation for [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate?
The canonical SMILES for [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate is CN1C(=O)[C@H](OC(N)=O)[C@@H](C(=O)Nc2ccccc2)C12CCNCC2.
What is the InChIKey of [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate?
The InChIKey is FBRHKENVRWWSIU-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-21-15(23)13(25-16(18)24)12(17(21)7-9-19-10-8-17)14(22)20-11-5-3-2-4-6-11/h2-6,12-13,19H,7-10H2,1H3,(H2,18,24)(H,20,22)/t12-,13+/m0/s1.
What are the key properties of [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate?
[(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate has a molecular weight of 346.39 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-methyl-2-oxo-4-(phenylcarbamoyl)-1,8-diazaspiro[4.5]decan-3-yl] carbamate is sourced from PubChem (CID 118738545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).