(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C19H29N3O — CID 124822749

IUPAC(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCCCN1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)[C@@H]1CC
InChIInChI=1S/C19H29N3O/c1-3-13-21-14-5-9-19(17(21)4-2)10-6-18(23)22(19)15-16-7-11-20-12-8-16/h7-8,11-12,17H,3-6,9-10,13-15H2,1-2H3/t17-,19+/m0/s1
InChIKeyWOVQBMJDOQRWCG-PKOBYXMFSA-N
MW315.46 g/mol
LogP3.23
Rot. Bonds5

About (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 124822749) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID124822749
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCCCN1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)[C@@H]1CC
InChIInChI=1S/C19H29N3O/c1-3-13-21-14-5-9-19(17(21)4-2)10-6-18(23)22(19)15-16-7-11-20-12-8-16/h7-8,11-12,17H,3-6,9-10,13-15H2,1-2H3/t17-,19+/m0/s1
InChIKeyWOVQBMJDOQRWCG-PKOBYXMFSA-N
XLogP3.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,10R)-10-ethyl-9-methyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97369146
(5S,10S)-10-ethyl-1-prop-2-enyl-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375597
(5S,10R)-10-ethyl-9-[(4-methoxyphenyl)methyl]-1-methyl-1,9-diazaspiro[4.5]decan-2-one
CID 97392437
(5R,10R)-10-ethyl-9-[(1-methylpyrazol-4-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
CID 124821175
(5S,10S)-10-ethyl-1-methyl-9-[(5-methylfuran-2-yl)methyl]-1,9-diazaspiro[4.5]decan-2-one
CID 97375553
9-(2-methylpropyl)-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134073846
(5R,10R)-10-ethyl-9-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-prop-2-enyl-1,9-diazaspiro[4.5]decan-2-one
CID 124794901
9-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131645106
8-butyl-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70745912
1-(2-methoxyethyl)-9-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 134078829
8-(cyclopropylmethyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97372690
1-(pyridin-4-ylmethyl)-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493882

Frequently Asked Questions

What is the IUPAC name of (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 124822749) is (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CCCN1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)[C@@H]1CC.
What is the InChIKey of (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is WOVQBMJDOQRWCG-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-13-21-14-5-9-19(17(21)4-2)10-6-18(23)22(19)15-16-7-11-20-12-8-16/h7-8,11-12,17H,3-6,9-10,13-15H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
(5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 315.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,10S)-10-ethyl-9-propyl-1-(pyridin-4-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 124822749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).