1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one

C19H25FN2O — CID 118742286

IUPAC1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(Cc3ccccc3F)C2)N1CC1CC1
InChIInChI=1S/C19H25FN2O/c20-17-5-2-1-4-16(17)13-21-11-3-9-19(14-21)10-8-18(23)22(19)12-15-6-7-15/h1-2,4-5,15H,3,6-14H2
InChIKeyWBIAVNHTPJWTPY-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.19
Rot. Bonds4

About 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118742286) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118742286
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1CCC2(CCCN(Cc3ccccc3F)C2)N1CC1CC1
InChIInChI=1S/C19H25FN2O/c20-17-5-2-1-4-16(17)13-21-11-3-9-19(14-21)10-8-18(23)22(19)12-15-6-7-15/h1-2,4-5,15H,3,6-14H2
InChIKeyWBIAVNHTPJWTPY-UHFFFAOYSA-N
XLogP3.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclopropyl-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone
CID 776941
1-(Cyclopropylcarbonyl)-4-(2-fluorobenzoyl)piperazine
CID 776748
1-Benzyl-4-(cyclopropylcarbonyl)piperazine
CID 1220050
1-[4-[(3-Fluorophenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742529
(1-Benzylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 883949
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
2-(4-Fluoro-phenyl)-1-(2-pyrrolidin-1-ylmethyl-piperidin-1-yl)-ethanone(HCl)
CID 14810965
N,N-Diethyl-2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-acetamide
CID 44404545
[1-[Bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 45488957
1-amino-N-{[1-(2-fluorobenzyl)piperidin-3-yl]methyl}cyclopentanecarboxamide
CID 56709790
1-[2-[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]pyrrolidin-2-one;hydrochloride
CID 118727903

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one (CID 118742286) is 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one is O=C1CCC2(CCCN(Cc3ccccc3F)C2)N1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is WBIAVNHTPJWTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-17-5-2-1-4-16(17)13-21-11-3-9-19(14-21)10-8-18(23)22(19)12-15-6-7-15/h1-2,4-5,15H,3,6-14H2.
What are the key properties of 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 316.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-9-[(2-fluorophenyl)methyl]-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118742286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).