(6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

C21H28FN3O2 — CID 97149830

IUPAC(6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C21H28FN3O2/c22-18-5-2-1-4-16(18)9-12-23-20(27)24-13-3-10-21(14-24)11-8-19(26)25(15-21)17-6-7-17/h1-2,4-5,17H,3,6-15H2,(H,23,27)/t21-/m1/s1
InChIKeyXNPHHIWJIBXEAF-OAQYLSRUSA-N
MW373.47 g/mol
LogP2.94
Rot. Bonds4

About (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide

(6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (PubChem CID 97149830) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.

Molecular Properties

Compound Name(6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
PubChem CID97149830
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name(6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
SMILESO=C(NCCc1ccccc1F)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C21H28FN3O2/c22-18-5-2-1-4-16(18)9-12-23-20(27)24-13-3-10-21(14-24)11-8-19(26)25(15-21)17-6-7-17/h1-2,4-5,17H,3,6-15H2,(H,23,27)/t21-/m1/s1
InChIKeyXNPHHIWJIBXEAF-OAQYLSRUSA-N
XLogP2.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-2-cyclopropyl-N-(2,4-difluorophenyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97122233
2-cyclopentyl-8-[2-(2-hydroxyphenyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70771950
4-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113103417
2-cyclopropyl-8-(7-fluoro-3-methyl-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72879577
4-cycloheptyl-N-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109024
N-(6-chloro-3-pyridinyl)-2-cyclopropyl-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide
CID 70736483
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
(6S)-2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97142136
2-cyclopropyl-8-(1,1-dioxothiane-4-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72909555
N-[2-(2-fluorophenyl)ethyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108900039
2-[2-(dimethylamino)ethyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724925
1-cyclopentyl-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42916466

Frequently Asked Questions

What is the IUPAC name of (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The IUPAC name of (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide (CID 97149830) is (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide.
What is the SMILES notation for (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The canonical SMILES for (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is O=C(NCCc1ccccc1F)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
The InChIKey is XNPHHIWJIBXEAF-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-18-5-2-1-4-16(18)9-12-23-20(27)24-13-3-10-21(14-24)11-8-19(26)25(15-21)17-6-7-17/h1-2,4-5,17H,3,6-15H2,(H,23,27)/t21-/m1/s1.
What are the key properties of (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide?
(6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxamide is sourced from PubChem (CID 97149830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).