(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone

C20H31N3O3 — CID 119898033

IUPAC(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
SMILESCOc1cc(NC2CCN(C(=O)C3CCCC(N)C3)CC2)cc(OC)c1
InChIInChI=1S/C20H31N3O3/c1-25-18-11-17(12-19(13-18)26-2)22-16-6-8-23(9-7-16)20(24)14-4-3-5-15(21)10-14/h11-16,22H,3-10,21H2,1-2H3
InChIKeyNVIDNYPCDBUWAB-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.62
Rot. Bonds5

About (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone

(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone (PubChem CID 119898033) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
PubChem CID119898033
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone
SMILESCOc1cc(NC2CCN(C(=O)C3CCCC(N)C3)CC2)cc(OC)c1
InChIInChI=1S/C20H31N3O3/c1-25-18-11-17(12-19(13-18)26-2)22-16-6-8-23(9-7-16)20(24)14-4-3-5-15(21)10-14/h11-16,22H,3-10,21H2,1-2H3
InChIKeyNVIDNYPCDBUWAB-UHFFFAOYSA-N
XLogP2.62
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(1S,3R)-3-aminocyclohexyl]-[(3S)-3-(3,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 124688925
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119898008
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
methyl 1-(3-aminocyclohexanecarbonyl)piperidine-4-carboxylate
CID 55147306
(3-aminocyclohexyl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727471
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119898039
4-(3-bromo-5-methoxyanilino)piperidine-1-carboxamide
CID 82858235
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
(3-aminocyclohexyl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103532843
(3-aminocyclohexyl)-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 119888902
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
1-[4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119762598

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone (CID 119898033) is (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone is COc1cc(NC2CCN(C(=O)C3CCCC(N)C3)CC2)cc(OC)c1.
What is the InChIKey of (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone?
The InChIKey is NVIDNYPCDBUWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-25-18-11-17(12-19(13-18)26-2)22-16-6-8-23(9-7-16)20(24)14-4-3-5-15(21)10-14/h11-16,22H,3-10,21H2,1-2H3.
What are the key properties of (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone?
(3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[4-(3,5-dimethoxyanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 119898033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).