3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride

C19H30ClN3O2 — CID 119493105

IUPAC3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)10-18(23)21-17-8-7-15(11-14(17)3)19(24)22-9-5-6-16(12-22)20-4;/h7-8,11,13,16,20H,5-6,9-10,12H2,1-4H3,(H,21,23);1H
InChIKeyDWMJFRUQMDTEPF-UHFFFAOYSA-N
MW367.92 g/mol
LogP3.23
Rot. Bonds5

About 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride

3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride (PubChem CID 119493105) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride
PubChem CID119493105
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC Name3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)C1.Cl
InChIInChI=1S/C19H29N3O2.ClH/c1-13(2)10-18(23)21-17-8-7-15(11-14(17)3)19(24)22-9-5-6-16(12-22)20-4;/h7-8,11,13,16,20H,5-6,9-10,12H2,1-4H3,(H,21,23);1H
InChIKeyDWMJFRUQMDTEPF-UHFFFAOYSA-N
XLogP3.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 119488057
1-[3-methyl-4-(3-methylbutanoylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355410
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride
CID 120809758
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119621174
N-[2-(cycloheptylamino)ethyl]-3-methyl-4-(3-methylbutanoylamino)benzamide
CID 119621175
1-tert-butyl-3-[2-methyl-5-[3-(methylamino)piperidine-1-carbonyl]phenyl]urea;hydrochloride
CID 119490606
2-methyl-4-[(3R)-3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 124575570
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
N-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 119483613
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
3-methyl-4-(3-methylbutanoylamino)-N-(oxan-3-yl)benzamide
CID 75422339

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride?
The IUPAC name of 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride (CID 119493105) is 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride is CNC1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)C1.Cl.
What is the InChIKey of 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride?
The InChIKey is DWMJFRUQMDTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2.ClH/c1-13(2)10-18(23)21-17-8-7-15(11-14(17)3)19(24)22-9-5-6-16(12-22)20-4;/h7-8,11,13,16,20H,5-6,9-10,12H2,1-4H3,(H,21,23);1H.
What are the key properties of 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride?
3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride has a molecular weight of 367.92 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119493105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).