(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H25FN4O2 — CID 95724857

IUPAC(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCNC(=O)[C@H]1CC2(CCNCC2)CN1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O2/c19-14-3-1-13(2-4-14)16(24)21-9-10-22-17(25)15-11-18(12-23-15)5-7-20-8-6-18/h1-4,15,20,23H,5-12H2,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyOJQIMMXMERQZJK-OAHLLOKOSA-N
MW348.42 g/mol
LogP0.40
Rot. Bonds5

About (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 95724857) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID95724857
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCNC(=O)[C@H]1CC2(CCNCC2)CN1)c1ccc(F)cc1
InChIInChI=1S/C18H25FN4O2/c19-14-3-1-13(2-4-14)16(24)21-9-10-22-17(25)15-11-18(12-23-15)5-7-20-8-6-18/h1-4,15,20,23H,5-12H2,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyOJQIMMXMERQZJK-OAHLLOKOSA-N
XLogP0.40
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 46103850
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-2-carboxamide
CID 119299543
N-[2-[(4-fluorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299555
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56910669
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
(3R)-N-[(2,4-dichloro-6-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95727267
N-[2-[(1-aminocyclopropanecarbonyl)amino]ethyl]-4-fluorobenzamide;hydrochloride
CID 119742010
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154895551
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
N-[(3-phenoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56902404

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 95724857) is (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(NCCNC(=O)[C@H]1CC2(CCNCC2)CN1)c1ccc(F)cc1.
What is the InChIKey of (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is OJQIMMXMERQZJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25FN4O2/c19-14-3-1-13(2-4-14)16(24)21-9-10-22-17(25)15-11-18(12-23-15)5-7-20-8-6-18/h1-4,15,20,23H,5-12H2,(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
(3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 0.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(4-fluorobenzoyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 95724857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).