8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one

C20H27N5O2 — CID 70744817

IUPAC8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)CCn3nnc4ccccc43)C2)CCC1=O
InChIInChI=1S/C20H27N5O2/c1-2-23-14-20(11-8-18(23)26)10-5-12-24(15-20)19(27)9-13-25-17-7-4-3-6-16(17)21-22-25/h3-4,6-7H,2,5,8-15H2,1H3
InChIKeyOBUAJPFASCAOCN-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.07
Rot. Bonds4

About 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one

8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70744817) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70744817
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)CCn3nnc4ccccc43)C2)CCC1=O
InChIInChI=1S/C20H27N5O2/c1-2-23-14-20(11-8-18(23)26)10-5-12-24(15-20)19(27)9-13-25-17-7-4-3-6-16(17)21-22-25/h3-4,6-7H,2,5,8-15H2,1H3
InChIKeyOBUAJPFASCAOCN-UHFFFAOYSA-N
XLogP2.07
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzotriazol-1-yl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
CID 50961924
(6S)-8-[2-(benzylamino)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 95880614
8-[3-(4-chloropyrazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70764812
4-[3-(benzotriazol-1-yl)propanoyl]-2-methylmorpholine-2-carboxamide
CID 110268223
8-[2-(benzotriazol-2-yl)acetyl]-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72863454
(6R)-2-ethyl-8-[2-(2-hydroxyphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95881198
2-butyl-8-[3-(5-methyltetrazol-1-yl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70740209
8-[3-(1H-benzimidazol-2-yl)propanoyl]-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72849590
(5S)-7-[3-(benzotriazol-1-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95723250
7-[3-(benzotriazol-1-yl)propanoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56908682
(6S)-2-(3-hydroxypropyl)-8-(2-indazol-1-ylacetyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96571224
(6S)-8-(3-pyrazol-1-ylpropanoyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96578286

Frequently Asked Questions

What is the IUPAC name of 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one (CID 70744817) is 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(C(=O)CCn3nnc4ccccc43)C2)CCC1=O.
What is the InChIKey of 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OBUAJPFASCAOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-23-14-20(11-8-18(23)26)10-5-12-24(15-20)19(27)9-13-25-17-7-4-3-6-16(17)21-22-25/h3-4,6-7H,2,5,8-15H2,1H3.
What are the key properties of 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 369.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(benzotriazol-1-yl)propanoyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70744817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).