8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H22FN3O3 — CID 72842778

IUPAC8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)NCc3ccccc3F)CC2)CN1
InChIInChI=1S/C17H22FN3O3/c18-13-4-2-1-3-12(13)10-19-16(24)21-7-5-17(6-8-21)9-14(15(22)23)20-11-17/h1-4,14,20H,5-11H2,(H,19,24)(H,22,23)
InChIKeyJHSQFCWRYJVMFL-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.56
Rot. Bonds3

About 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72842778) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72842778
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)NCc3ccccc3F)CC2)CN1
InChIInChI=1S/C17H22FN3O3/c18-13-4-2-1-3-12(13)10-19-16(24)21-7-5-17(6-8-21)9-14(15(22)23)20-11-17/h1-4,14,20H,5-11H2,(H,19,24)(H,22,23)
InChIKeyJHSQFCWRYJVMFL-UHFFFAOYSA-N
XLogP1.56
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97148975
(3S)-8-[(2-fluorophenyl)methylcarbamoyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95726385
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
8-(5-phenylpentanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 72917920
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
1-[(2-fluorophenyl)methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719531
N-[(2-fluorophenyl)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51274238
2-[1-[(2-fluorophenyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 62689801
N-[(3-chloro-2-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-6-carboxamide
CID 166772330
N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113107500
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72842778) is 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(C(=O)NCc3ccccc3F)CC2)CN1.
What is the InChIKey of 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is JHSQFCWRYJVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-13-4-2-1-3-12(13)10-19-16(24)21-7-5-17(6-8-21)9-14(15(22)23)20-11-17/h1-4,14,20H,5-11H2,(H,19,24)(H,22,23).
What are the key properties of 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methylcarbamoyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72842778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).