(5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

C21H25FN4O2 — CID 3234675

IUPAC(5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1
InChIInChI=1S/C21H25FN4O2/c1-24-10-3-7-18(24)19(27)25-11-4-8-21(14-25)9-12-26(15-21)20(28)23-17-6-2-5-16(22)13-17/h2-3,5-7,10,13H,4,8-9,11-12,14-15H2,1H3,(H,23,28)/t21-/m1/s1
InChIKeyIEHHAAVPHUMZBA-OAQYLSRUSA-N
MW384.45 g/mol
LogP3.32
Rot. Bonds2

About (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide

(5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 3234675) has the molecular formula C21H25FN4O2 and a molecular weight of 384.45 g/mol. Its IUPAC name is (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
PubChem CID3234675
Molecular FormulaC21H25FN4O2
Molecular Weight384.45 g/mol
Exact Mass384.20
IUPAC Name(5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
SMILESCn1cccc1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1
InChIInChI=1S/C21H25FN4O2/c1-24-10-3-7-18(24)19(27)25-11-4-8-21(14-25)9-12-26(15-21)20(28)23-17-6-2-5-16(22)13-17/h2-3,5-7,10,13H,4,8-9,11-12,14-15H2,1H3,(H,23,28)/t21-/m1/s1
InChIKeyIEHHAAVPHUMZBA-OAQYLSRUSA-N
XLogP3.32
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide (CID 3234675) is (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is Cn1cccc1C(=O)N1CCC[C@@]2(CCN(C(=O)Nc3cccc(F)c3)C2)C1.
What is the InChIKey of (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is IEHHAAVPHUMZBA-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-24-10-3-7-18(24)19(27)25-11-4-8-21(14-25)9-12-26(15-21)20(28)23-17-6-2-5-16(22)13-17/h2-3,5-7,10,13H,4,8-9,11-12,14-15H2,1H3,(H,23,28)/t21-/m1/s1.
What are the key properties of (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide?
(5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(3-fluorophenyl)-9-(1-methylpyrrole-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 3234675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).