1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

C16H21N3O2 — CID 97493701

IUPAC1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)CCC12CCN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C16H21N3O2/c1-2-19-14(20)5-6-16(19)7-10-18(11-8-16)15(21)13-4-3-9-17-12-13/h3-4,9,12H,2,5-8,10-11H2,1H3
InChIKeyHTFZEKSAQSOBTL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.70
Rot. Bonds2

About 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one

1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493701) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493701
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
SMILESCCN1C(=O)CCC12CCN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C16H21N3O2/c1-2-19-14(20)5-6-16(19)7-10-18(11-8-16)15(21)13-4-3-9-17-12-13/h3-4,9,12H,2,5-8,10-11H2,1H3
InChIKeyHTFZEKSAQSOBTL-UHFFFAOYSA-N
XLogP1.70
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-4-propylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 142181513
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
(6R)-10-(cyclopropylmethyl)-1-methyl-4-(pyridine-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97121140
1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134076661
(3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469578
(3R)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469579
[4-[(cyclopropylamino)methyl]-4-hydroxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 39374438
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
1-(cyclopropylmethyl)-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493786
8-(1-methylpyrazole-4-carbonyl)-1-prop-2-enyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493756

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one (CID 97493701) is 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is CCN1C(=O)CCC12CCN(C(=O)c1cccnc1)CC2.
What is the InChIKey of 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is HTFZEKSAQSOBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19-14(20)5-6-16(19)7-10-18(11-8-16)15(21)13-4-3-9-17-12-13/h3-4,9,12H,2,5-8,10-11H2,1H3.
What are the key properties of 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one?
1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 287.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).