8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

C21H25N3O — CID 131651628

IUPAC8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(CCc3ccccc3)CC2)CC1c1ccncc1
InChIInChI=1S/C21H25N3O/c25-20-19(18-6-11-22-12-7-18)16-21(23-20)9-14-24(15-10-21)13-8-17-4-2-1-3-5-17/h1-7,11-12,19H,8-10,13-16H2,(H,23,25)
InChIKeyFCOCNSGVTNMNNM-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.76
Rot. Bonds4

About 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one

8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131651628) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131651628
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCN(CCc3ccccc3)CC2)CC1c1ccncc1
InChIInChI=1S/C21H25N3O/c25-20-19(18-6-11-22-12-7-18)16-21(23-20)9-14-24(15-10-21)13-8-17-4-2-1-3-5-17/h1-7,11-12,19H,8-10,13-16H2,(H,23,25)
InChIKeyFCOCNSGVTNMNNM-UHFFFAOYSA-N
XLogP2.76
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(furan-3-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118746825
8-benzoyl-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 134072421
3-pyridin-4-yl-8-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 171706601
(3R)-3-pyridin-4-yl-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469612
3-pyridin-4-yl-8-(pyridin-2-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one;tris(2,2,2-trifluoroacetic acid)
CID 171686237
(3S)-8-[(5-ethylfuran-2-yl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 124914058
8-(2-hydroxyethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742830
8-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155854173
8-(furan-2-ylmethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155830504
3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 118742153
8-(naphthalen-1-ylmethyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72851262
(3S)-8-[(1-methylpyrazol-4-yl)methyl]-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469527

Frequently Asked Questions

What is the IUPAC name of 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one (CID 131651628) is 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is O=C1NC2(CCN(CCc3ccccc3)CC2)CC1c1ccncc1.
What is the InChIKey of 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is FCOCNSGVTNMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20-19(18-6-11-22-12-7-18)16-21(23-20)9-14-24(15-10-21)13-8-17-4-2-1-3-5-17/h1-7,11-12,19H,8-10,13-16H2,(H,23,25).
What are the key properties of 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one?
8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 335.45 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-phenylethyl)-3-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131651628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).