(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone

C18H26ClN3O2 — CID 56751265

IUPAC(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CN(C)CCN2C
InChIInChI=1S/C18H26ClN3O2/c1-20-10-11-21(2)18(13-20)6-8-22(9-7-18)17(23)15-12-14(19)4-5-16(15)24-3/h4-5,12H,6-11,13H2,1-3H3
InChIKeyVVLZZBHDJLKLHR-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.20
Rot. Bonds2

About (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone

(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 56751265) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
PubChem CID56751265
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CN(C)CCN2C
InChIInChI=1S/C18H26ClN3O2/c1-20-10-11-21(2)18(13-20)6-8-22(9-7-18)17(23)15-12-14(19)4-5-16(15)24-3/h4-5,12H,6-11,13H2,1-3H3
InChIKeyVVLZZBHDJLKLHR-UHFFFAOYSA-N
XLogP2.20
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone 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

(5-chloro-2-hydroxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone
CID 56740177
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(5-chloro-2-methoxyphenyl)-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]methanone
CID 136521523
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 108535373
1-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 110799983
[2-(5-chloro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethoxyphenyl)methanone
CID 4296379
(3S)-3-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-3-ethyl-N-methylpyrrolidine-1-carboxamide
CID 95112221
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone (CID 56751265) is (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone is COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CN(C)CCN2C.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is VVLZZBHDJLKLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-20-10-11-21(2)18(13-20)6-8-22(9-7-18)17(23)15-12-14(19)4-5-16(15)24-3/h4-5,12H,6-11,13H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone?
(5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 351.88 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 56751265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).