3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride

C19H31ClN2O3 — CID 119443779

IUPAC3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)ccc1OCCC(C)C.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-14(2)9-12-24-17-6-5-15(13-18(17)23-4)19(22)21(3)16-7-10-20-11-8-16;/h5-6,13-14,16,20H,7-12H2,1-4H3;1H
InChIKeyWYYXWEZXISKIEC-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.37
Rot. Bonds7

About 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride

3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119443779) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119443779
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCOc1cc(C(=O)N(C)C2CCNCC2)ccc1OCCC(C)C.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-14(2)9-12-24-17-6-5-15(13-18(17)23-4)19(22)21(3)16-7-10-20-11-8-16;/h5-6,13-14,16,20H,7-12H2,1-4H3;1H
InChIKeyWYYXWEZXISKIEC-UHFFFAOYSA-N
XLogP3.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
3-chloro-5-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443735
3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443929
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
3-methoxy-N-methyl-N-piperidin-4-yl-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119444457
N-butan-2-yl-3-methoxy-N-methyl-4-(3-methylbutoxy)benzamide
CID 75872470
4-(4-acetyl-2-methoxyphenoxy)-N-methyl-N-piperidin-4-ylbutanamide
CID 119443099
4-butoxy-3-methoxy-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 134046921
3,4-dibutoxy-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552125
N-(azepan-4-yl)-4-fluoro-3-methoxy-N-methylbenzamide
CID 107172564
4-cyclopentyloxy-3-methoxy-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119552147
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463531

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride (CID 119443779) is 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride is COc1cc(C(=O)N(C)C2CCNCC2)ccc1OCCC(C)C.Cl.
What is the InChIKey of 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is WYYXWEZXISKIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-14(2)9-12-24-17-6-5-15(13-18(17)23-4)19(22)21(3)16-7-10-20-11-8-16;/h5-6,13-14,16,20H,7-12H2,1-4H3;1H.
What are the key properties of 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride?
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119443779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).