1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C18H27N3O2 — CID 162630719

IUPAC1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccnc(CN2CCCC23CCCN(C(C)C)C3=O)c1
InChIInChI=1S/C18H27N3O2/c1-14(2)21-11-5-8-18(17(21)22)7-4-10-20(18)13-15-12-16(23-3)6-9-19-15/h6,9,12,14H,4-5,7-8,10-11,13H2,1-3H3
InChIKeyYCRXLKRGWOVECC-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.46
Rot. Bonds4

About 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162630719) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162630719
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccnc(CN2CCCC23CCCN(C(C)C)C3=O)c1
InChIInChI=1S/C18H27N3O2/c1-14(2)21-11-5-8-18(17(21)22)7-4-10-20(18)13-15-12-16(23-3)6-9-19-15/h6,9,12,14H,4-5,7-8,10-11,13H2,1-3H3
InChIKeyYCRXLKRGWOVECC-UHFFFAOYSA-N
XLogP2.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-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

[9-[(2-Methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1-methylpyrrol-2-yl)methanone
CID 3233696
1-(2-methoxybenzyl)-2-methyl-5-oxo-N-(pyridin-3-ylmethyl)prolinamide
CID 3243598
1-[4-(4-Methoxyphenyl)piperazin-1-YL]-3-phenyl-2-(1H-pyrrol-1-YL)propan-1-one
CID 5307622
2-[[1-[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-methylamino]propanamide
CID 53557730
N-[(5-ethyl-2-pyridinyl)methyl]-1-(3-methoxybenzyl)-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24817200
[2-[(2-Methoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-9-yl]-(1-methylpyrrol-2-yl)methanone
CID 3234577
1-[2-(dimethylamino)ethyl]-N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24791442
4-[(4-Methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1-(2-methoxyphenyl)-2-piperazinone
CID 70755153
N-[(4-methoxy-2-pyridinyl)methyl]-N-methyl-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 24791223
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylpyridine-2-carboxamide
CID 47086432
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylpropanamide
CID 53574288
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 53575866

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162630719) is 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is COc1ccnc(CN2CCCC23CCCN(C(C)C)C3=O)c1.
What is the InChIKey of 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is YCRXLKRGWOVECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(2)21-11-5-8-18(17(21)22)7-4-10-20(18)13-15-12-16(23-3)6-9-19-15/h6,9,12,14H,4-5,7-8,10-11,13H2,1-3H3.
What are the key properties of 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 317.43 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162630719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).