N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

C19H25FN4O2 — CID 139009596

IUPACN-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1CC2(CCN(C(=O)NC3CCN(c4ccccc4F)C3)CC2)CN1
InChIInChI=1S/C19H25FN4O2/c20-15-3-1-2-4-16(15)24-8-5-14(12-24)22-18(26)23-9-6-19(7-10-23)11-17(25)21-13-19/h1-4,14H,5-13H2,(H,21,25)(H,22,26)
InChIKeyFIXZISHDXJTDSR-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.72
Rot. Bonds2

About N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide

N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 139009596) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID139009596
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC NameN-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1CC2(CCN(C(=O)NC3CCN(c4ccccc4F)C3)CC2)CN1
InChIInChI=1S/C19H25FN4O2/c20-15-3-1-2-4-16(15)24-8-5-14(12-24)22-18(26)23-9-6-19(7-10-23)11-17(25)21-13-19/h1-4,14H,5-13H2,(H,21,25)(H,22,26)
InChIKeyFIXZISHDXJTDSR-UHFFFAOYSA-N
XLogP1.72
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 128683584
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-5-oxo-1,4-diazepane-1-carboxamide
CID 97076609
N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 139009600
N-[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 97055401
(2R)-N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97249227
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
4-(2-fluorophenyl)-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162501
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[1-(2-fluorophenyl)pyrrolidin-3-yl]urea
CID 166236117
4-(2-fluorophenyl)-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7162495
2-[[(3R)-1-(2-fluorophenyl)piperidin-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615432
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 139009596) is N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is O=C1CC2(CCN(C(=O)NC3CCN(c4ccccc4F)C3)CC2)CN1.
What is the InChIKey of N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is FIXZISHDXJTDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c20-15-3-1-2-4-16(15)24-8-5-14(12-24)22-18(26)23-9-6-19(7-10-23)11-17(25)21-13-19/h1-4,14H,5-13H2,(H,21,25)(H,22,26).
What are the key properties of N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide?
N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)pyrrolidin-3-yl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 139009596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).