[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone

C19H25FN2O — CID 97396892

IUPAC[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C19H25FN2O/c20-17-4-1-3-16(13-17)18(23)21-11-8-19(9-12-21)7-2-10-22(19)14-15-5-6-15/h1,3-4,13,15H,2,5-12,14H2
InChIKeyFQRNVBLAAPHXCN-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.31
Rot. Bonds3

About [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone

[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone (PubChem CID 97396892) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone
PubChem CID97396892
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C19H25FN2O/c20-17-4-1-3-16(13-17)18(23)21-11-8-19(9-12-21)7-2-10-22(19)14-15-5-6-15/h1,3-4,13,15H,2,5-12,14H2
InChIKeyFQRNVBLAAPHXCN-UHFFFAOYSA-N
XLogP3.31
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(4-fluorophenyl)methanone
CID 97451330
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396880
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
CID 97493577
(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134078359
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1H-pyrrol-2-yl)methanone
CID 97493572
[4-(cyclohexylmethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 47025111
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(3-fluorophenyl)methanone
CID 97491866
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone (CID 97396892) is [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC2(CCCN2CC2CC2)CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone?
The InChIKey is FQRNVBLAAPHXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-17-4-1-3-16(13-17)18(23)21-11-8-19(9-12-21)7-2-10-22(19)14-15-5-6-15/h1,3-4,13,15H,2,5-12,14H2.
What are the key properties of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone?
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone has a molecular weight of 316.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 97396892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).