[2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone

C17H26N2O2 — CID 166887049

IUPAC[2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone
SMILESCCCNc1cc(OC)c(C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-8-18-15-12-16(21-3)14(11-13(15)2)17(20)19-9-6-5-7-10-19/h11-12,18H,4-10H2,1-3H3
InChIKeyUJIFUCRDERTPGR-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.45
Rot. Bonds5

About [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone

[2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone (PubChem CID 166887049) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone
PubChem CID166887049
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone
SMILESCCCNc1cc(OC)c(C(=O)N2CCCCC2)cc1C
InChIInChI=1S/C17H26N2O2/c1-4-8-18-15-12-16(21-3)14(11-13(15)2)17(20)19-9-6-5-7-10-19/h11-12,18H,4-10H2,1-3H3
InChIKeyUJIFUCRDERTPGR-UHFFFAOYSA-N
XLogP3.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxy-4,5-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813465
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
1-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 110809491
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493
1-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110806864
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
(4-ethoxy-2,5-dimethylphenyl)-piperidin-1-ylmethanone
CID 110761639
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
4-(5-chloro-4-methoxy-2-methylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813528
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
1-[4-(5-chloro-2-methoxy-4-methylbenzoyl)-1,4-diazepan-1-yl]butan-1-one
CID 110806015
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone (CID 166887049) is [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone is CCCNc1cc(OC)c(C(=O)N2CCCCC2)cc1C.
What is the InChIKey of [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone?
The InChIKey is UJIFUCRDERTPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-8-18-15-12-16(21-3)14(11-13(15)2)17(20)19-9-6-5-7-10-19/h11-12,18H,4-10H2,1-3H3.
What are the key properties of [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone?
[2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone has a molecular weight of 290.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-methyl-4-(propylamino)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 166887049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).