(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H30FN3O — CID 95867395

IUPAC(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(CCCCCF)C2)CN1Cc1ccccn1
InChIInChI=1S/C20H30FN3O/c21-11-3-1-5-13-23-14-6-9-20(16-23)10-8-19(25)24(17-20)15-18-7-2-4-12-22-18/h2,4,7,12H,1,3,5-6,8-11,13-17H2/t20-/m0/s1
InChIKeyYFOXCABYKACNPQ-FQEVSTJZSA-N
MW347.48 g/mol
LogP3.43
Rot. Bonds7

About (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95867395) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95867395
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESO=C1CC[C@]2(CCCN(CCCCCF)C2)CN1Cc1ccccn1
InChIInChI=1S/C20H30FN3O/c21-11-3-1-5-13-23-14-6-9-20(16-23)10-8-19(25)24(17-20)15-18-7-2-4-12-22-18/h2,4,7,12H,1,3,5-6,8-11,13-17H2/t20-/m0/s1
InChIKeyYFOXCABYKACNPQ-FQEVSTJZSA-N
XLogP3.43
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718
2-(pyridin-2-ylmethyl)-8-(3-pyridin-3-ylpropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70724419
(6S)-8-[2-(2-hydroxyethoxy)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95880682
6-[[(6S)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97120264
6-[[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1H-pyrimidine-2,4-dione
CID 97120265
(6R)-8-(2-hydroxyacetyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95896840
(6R)-2-(2-pyridin-2-ylethyl)-8-[3-(tetrazol-1-yl)propyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97137999
(6S)-2-[2-(dimethylamino)ethyl]-8-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95870785
4-oxo-4-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]butanamide
CID 95874562
1-[(6R)-3-oxo-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecane-8-carbonyl]cyclopropane-1-carboxamide
CID 95870290
N-ethyl-3-[3-oxo-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-8-yl]propanamide
CID 70743166

Frequently Asked Questions

What is the IUPAC name of (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95867395) is (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is O=C1CC[C@]2(CCCN(CCCCCF)C2)CN1Cc1ccccn1.
What is the InChIKey of (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is YFOXCABYKACNPQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H30FN3O/c21-11-3-1-5-13-23-14-6-9-20(16-23)10-8-19(25)24(17-20)15-18-7-2-4-12-22-18/h2,4,7,12H,1,3,5-6,8-11,13-17H2/t20-/m0/s1.
What are the key properties of (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 347.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-(5-fluoropentyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95867395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).