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

C18H27N3O3 — CID 120590016

IUPAC4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H27N3O3/c1-13-7-9-21(10-8-13)18(23)14-3-5-15(6-4-14)20-17(22)11-16(12-19)24-2/h3-6,13,16H,7-12,19H2,1-2H3,(H,20,22)
InChIKeySJETWZYKOVLRGO-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.86
Rot. Bonds6

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

4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide (PubChem CID 120590016) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
PubChem CID120590016
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H27N3O3/c1-13-7-9-21(10-8-13)18(23)14-3-5-15(6-4-14)20-17(22)11-16(12-19)24-2/h3-6,13,16H,7-12,19H2,1-2H3,(H,20,22)
InChIKeySJETWZYKOVLRGO-UHFFFAOYSA-N
XLogP1.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-[2-methyl-4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 120588215
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 120595204
3-methyl-N-[4-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]butanamide
CID 54830418
4-(methylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 119745800
(2S)-2-amino-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119301656
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
2-(4-methylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179607
1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
2-(butylamino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54815489

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide (CID 120590016) is 4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide is COC(CN)CC(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
The InChIKey is SJETWZYKOVLRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13-7-9-21(10-8-13)18(23)14-3-5-15(6-4-14)20-17(22)11-16(12-19)24-2/h3-6,13,16H,7-12,19H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide?
4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide has a molecular weight of 333.43 g/mol, XLogP of 1.86, 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-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 120590016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).