4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride

C19H30ClN3O3 — CID 120588215

IUPAC4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-13-6-8-22(9-7-13)19(24)15-4-5-17(14(2)10-15)21-18(23)11-16(12-20)25-3;/h4-5,10,13,16H,6-9,11-12,20H2,1-3H3,(H,21,23);1H
InChIKeyVTULKAVPWYHFGO-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.59
Rot. Bonds6

About 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride

4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride (PubChem CID 120588215) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
PubChem CID120588215
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-13-6-8-22(9-7-13)19(24)15-4-5-17(14(2)10-15)21-18(23)11-16(12-20)25-3;/h4-5,10,13,16H,6-9,11-12,20H2,1-3H3,(H,21,23);1H
InChIKeyVTULKAVPWYHFGO-UHFFFAOYSA-N
XLogP2.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590016
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
4-amino-3-methoxy-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]butanamide
CID 120592838
(2S,5R)-5-(aminomethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 120786380
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
1-(2-methoxyethyl)-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]cyclobutane-1-carboxamide
CID 126793039
4-amino-3-methoxy-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide;hydrochloride
CID 120590833
2-hydroxy-2-methyl-3-[[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoylamino]propanoic acid
CID 122077058
3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride
CID 119493105
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 120595204
N-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2-methylphenyl]-3-methylbutanamide;hydrochloride
CID 120809758

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride (CID 120588215) is 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride is COC(CN)CC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1C.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride?
The InChIKey is VTULKAVPWYHFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-13-6-8-22(9-7-13)19(24)15-4-5-17(14(2)10-15)21-18(23)11-16(12-20)25-3;/h4-5,10,13,16H,6-9,11-12,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 120588215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).