4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide

C18H29N3O2 — CID 120595204

IUPAC4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14-7-9-21(10-8-14)13-15-3-5-16(6-4-15)20-18(22)11-17(12-19)23-2/h3-6,14,17H,7-13,19H2,1-2H3,(H,20,22)
InChIKeySVEDHDSBISZXAO-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.22
Rot. Bonds7

About 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide

4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide (PubChem CID 120595204) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
PubChem CID120595204
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
SMILESCOC(CN)CC(=O)Nc1ccc(CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N3O2/c1-14-7-9-21(10-8-14)13-15-3-5-16(6-4-15)20-18(22)11-17(12-19)23-2/h3-6,14,17H,7-13,19H2,1-2H3,(H,20,22)
InChIKeySVEDHDSBISZXAO-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
4-amino-3-methoxy-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590016
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N'-(4-fluorophenyl)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanediamide
CID 108760674
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
4-amino-3-methoxy-N-(4-propylphenyl)butanamide
CID 103154337
4-amino-N-(4-hydroxyphenyl)-3-methoxybutanamide
CID 103154769
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
CID 120597557
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 120594872
4-amino-3-methoxy-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]butanamide;dihydrochloride
CID 120595053

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide (CID 120595204) is 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide is COC(CN)CC(=O)Nc1ccc(CN2CCC(C)CC2)cc1.
What is the InChIKey of 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
The InChIKey is SVEDHDSBISZXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14-7-9-21(10-8-14)13-15-3-5-16(6-4-15)20-18(22)11-17(12-19)23-2/h3-6,14,17H,7-13,19H2,1-2H3,(H,20,22).
What are the key properties of 4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide?
4-amino-3-methoxy-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide has a molecular weight of 319.45 g/mol, XLogP of 2.22, 7 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-methylpiperidin-1-yl)methyl]phenyl]butanamide is sourced from PubChem (CID 120595204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).