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

C19H29N3O3 — CID 120590472

IUPAC4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1C
InChIInChI=1S/C19H29N3O3/c1-13-10-15(19(24)22-9-5-4-6-14(22)2)7-8-17(13)21-18(23)11-16(12-20)25-3/h7-8,10,14,16H,4-6,9,11-12,20H2,1-3H3,(H,21,23)
InChIKeyIYKOAWSGMHZQGT-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.31
Rot. Bonds6

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

4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide (PubChem CID 120590472) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
PubChem CID120590472
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1C
InChIInChI=1S/C19H29N3O3/c1-13-10-15(19(24)22-9-5-4-6-14(22)2)7-8-17(13)21-18(23)11-16(12-20)25-3/h7-8,10,14,16H,4-6,9,11-12,20H2,1-3H3,(H,21,23)
InChIKeyIYKOAWSGMHZQGT-UHFFFAOYSA-N
XLogP2.31
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 120588215
4-amino-3-methoxy-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 120590934
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
methyl 1-[3-[(4-amino-3-methoxybutanoyl)amino]benzoyl]piperidine-2-carboxylate;hydrochloride
CID 120592080
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 95279539
2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
CID 86933803
1-[3-methyl-4-(3-methylbutanoylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355410
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide (CID 120590472) is 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide is COC(CN)CC(=O)Nc1ccc(C(=O)N2CCCCC2C)cc1C.
What is the InChIKey of 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide?
The InChIKey is IYKOAWSGMHZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13-10-15(19(24)22-9-5-4-6-14(22)2)7-8-17(13)21-18(23)11-16(12-20)25-3/h7-8,10,14,16H,4-6,9,11-12,20H2,1-3H3,(H,21,23).
What are the key properties of 4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide?
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide has a molecular weight of 347.46 g/mol, XLogP of 2.31, 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-(2-methylpiperidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 120590472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).