[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone

C19H25FN2O — CID 97493577

IUPAC[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C19H25FN2O/c20-17-5-2-1-4-16(17)18(23)21-12-9-19(10-13-21)8-3-11-22(19)14-15-6-7-15/h1-2,4-5,15H,3,6-14H2
InChIKeyVWVXAOMLJAVLNE-UHFFFAOYSA-N
MW316.42 g/mol
LogP3.31
Rot. Bonds3

About [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone

[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone (PubChem CID 97493577) 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]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
PubChem CID97493577
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC2(CCCN2CC2CC2)CC1
InChIInChI=1S/C19H25FN2O/c20-17-5-2-1-4-16(17)18(23)21-12-9-19(10-13-21)8-3-11-22(19)14-15-6-7-15/h1-2,4-5,15H,3,6-14H2
InChIKeyVWVXAOMLJAVLNE-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]-(1H-pyrrol-2-yl)methanone
CID 97493572
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(4-fluorophenyl)methanone
CID 97451330
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone
CID 97396892
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
(2-fluorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977657
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872
1-[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-2-thiophen-3-ylethanone
CID 97396890
[4-(cyclopropylmethylsulfonyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 71864041
(2-fluorophenyl)-[(3S)-3-(methoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418003
cyclobutyl-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 78849804
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 78861722

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone (CID 97493577) is [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC2(CCCN2CC2CC2)CC1.
What is the InChIKey of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
The InChIKey is VWVXAOMLJAVLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c20-17-5-2-1-4-16(17)18(23)21-12-9-19(10-13-21)8-3-11-22(19)14-15-6-7-15/h1-2,4-5,15H,3,6-14H2.
What are the key properties of [1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-fluorophenyl)methanone?
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(2-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]-(2-fluorophenyl)methanone is sourced from PubChem (CID 97493577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).