(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

C19H27FN2O — CID 3234583

IUPAC(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCC(C)CN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C19H27FN2O/c1-15(2)12-21-10-8-19(13-21)7-4-9-22(14-19)18(23)16-5-3-6-17(20)11-16/h3,5-6,11,15H,4,7-10,12-14H2,1-2H3/t19-/m0/s1
InChIKeyZFZOTTJNGKKYMQ-IBGZPJMESA-N
MW318.44 g/mol
LogP3.41
Rot. Bonds3

About (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone

(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (PubChem CID 3234583) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
PubChem CID3234583
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Name(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
SMILESCC(C)CN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1
InChIInChI=1S/C19H27FN2O/c1-15(2)12-21-10-8-19(13-21)7-4-9-22(14-19)18(23)16-5-3-6-17(20)11-16/h3,5-6,11,15H,4,7-10,12-14H2,1-2H3/t19-/m0/s1
InChIKeyZFZOTTJNGKKYMQ-IBGZPJMESA-N
XLogP3.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2,6-Difluorobenzoyl)pyrrolidine
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Roxoperone
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Phenyl(4-(phenylmethyl)-1-piperazinyl)methanone
CID 116119
N,N-Dibutylbenzamide
CID 32774
(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
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N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methylbenzamide hydrochloride
CID 10019926
N-{2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl}-N-methylbenzamide hydrochloride
CID 14553604
N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
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N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-ethylbenzamide hydrochloride
CID 14783892

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone (CID 3234583) is (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is CC(C)CN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1.
What is the InChIKey of (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
The InChIKey is ZFZOTTJNGKKYMQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27FN2O/c1-15(2)12-21-10-8-19(13-21)7-4-9-22(14-19)18(23)16-5-3-6-17(20)11-16/h3,5-6,11,15H,4,7-10,12-14H2,1-2H3/t19-/m0/s1.
What are the key properties of (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone?
(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone has a molecular weight of 318.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 3234583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).