3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide

C16H24N2O2 — CID 79721035

IUPAC3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)CC2CCNCC2)ccc1C
InChIInChI=1S/C16H24N2O2/c1-12-4-5-14(10-15(12)20-3)16(19)18(2)11-13-6-8-17-9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyBWLHUXKJAVNLFU-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.08
Rot. Bonds4

About 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide

3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide (PubChem CID 79721035) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
PubChem CID79721035
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide
SMILESCOc1cc(C(=O)N(C)CC2CCNCC2)ccc1C
InChIInChI=1S/C16H24N2O2/c1-12-4-5-14(10-15(12)20-3)16(19)18(2)11-13-6-8-17-9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyBWLHUXKJAVNLFU-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N,4-dimethyl-N-(2-piperidin-4-ylethyl)benzamide
CID 60914907
N-[(3-bromocyclobutyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 80676384
2,5-dimethoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79700189
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 71642366
3-chloro-4-iodo-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 103209645
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3-methoxy-N,4-dimethyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187175
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 114760467
2-bromo-5-methoxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715879
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N,4-dimethylbenzamide
CID 51230534
4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
CID 104783050

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide (CID 79721035) is 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide is COc1cc(C(=O)N(C)CC2CCNCC2)ccc1C.
What is the InChIKey of 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide?
The InChIKey is BWLHUXKJAVNLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-4-5-14(10-15(12)20-3)16(19)18(2)11-13-6-8-17-9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3.
What are the key properties of 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide?
3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,4-dimethyl-N-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 79721035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).