4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride

C18H31Cl2N3O2 — CID 120594872

IUPAC4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1ccc(CN2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-23-17(12-19)11-18(22)20-13-15-5-7-16(8-6-15)14-21-9-3-2-4-10-21;;/h5-8,17H,2-4,9-14,19H2,1H3,(H,20,22);2*1H
InChIKeyRDICLDWBECYYFL-UHFFFAOYSA-N
MW392.37 g/mol
LogP2.50
Rot. Bonds8

About 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride

4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride (PubChem CID 120594872) has the molecular formula C18H31Cl2N3O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
PubChem CID120594872
Molecular FormulaC18H31Cl2N3O2
Molecular Weight392.37 g/mol
Exact Mass391.18
IUPAC Name4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
SMILESCOC(CN)CC(=O)NCc1ccc(CN2CCCCC2)cc1.Cl.Cl
InChIInChI=1S/C18H29N3O2.2ClH/c1-23-17(12-19)11-18(22)20-13-15-5-7-16(8-6-15)14-21-9-3-2-4-10-21;;/h5-8,17H,2-4,9-14,19H2,1H3,(H,20,22);2*1H
InChIKeyRDICLDWBECYYFL-UHFFFAOYSA-N
XLogP2.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methoxybutanamide
CID 120597557
4-amino-3-methoxy-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
CID 120595212
4-amino-3-methoxy-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120595227
4-amino-N-[4-(azepan-1-ylmethyl)phenyl]-3-methoxybutanamide
CID 120596131
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
4-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119867300
4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440
4-amino-N-[(4-tert-butylphenyl)methyl]-3-methoxybutanamide
CID 120588034
2-(2-methoxyethylamino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide;dihydrochloride
CID 119836256
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
4-amino-3-methoxy-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]butanamide
CID 120595080

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride (CID 120594872) is 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride is COC(CN)CC(=O)NCc1ccc(CN2CCCCC2)cc1.Cl.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride?
The InChIKey is RDICLDWBECYYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2.2ClH/c1-23-17(12-19)11-18(22)20-13-15-5-7-16(8-6-15)14-21-9-3-2-4-10-21;;/h5-8,17H,2-4,9-14,19H2,1H3,(H,20,22);2*1H.
What are the key properties of 4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride?
4-amino-3-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride has a molecular weight of 392.37 g/mol, XLogP of 2.50, 8 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-(piperidin-1-ylmethyl)phenyl]methyl]butanamide;dihydrochloride is sourced from PubChem (CID 120594872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).