N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide

C17H27N3O — CID 119444660

IUPACN-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
SMILESCCCN(C)c1ccc(C(=O)N(C)C2CCNCC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-13-19(2)15-7-5-14(6-8-15)17(21)20(3)16-9-11-18-12-10-16/h5-8,16,18H,4,9-13H2,1-3H3
InChIKeyKTZSFFABLBNIAI-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.36
Rot. Bonds5

About N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide

N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide (PubChem CID 119444660) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound NameN-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
PubChem CID119444660
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
SMILESCCCN(C)c1ccc(C(=O)N(C)C2CCNCC2)cc1
InChIInChI=1S/C17H27N3O/c1-4-13-19(2)15-7-5-14(6-8-15)17(21)20(3)16-9-11-18-12-10-16/h5-8,16,18H,4,9-13H2,1-3H3
InChIKeyKTZSFFABLBNIAI-UHFFFAOYSA-N
XLogP2.36
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[methyl(propyl)amino]-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119554876
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973
4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444091
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442569
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 12641855
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide?
The IUPAC name of N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide (CID 119444660) is N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide.
What is the SMILES notation for N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide?
The canonical SMILES for N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide is CCCN(C)c1ccc(C(=O)N(C)C2CCNCC2)cc1.
What is the InChIKey of N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide?
The InChIKey is KTZSFFABLBNIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-13-19(2)15-7-5-14(6-8-15)17(21)20(3)16-9-11-18-12-10-16/h5-8,16,18H,4,9-13H2,1-3H3.
What are the key properties of N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide?
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119444660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).