4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride

C17H29Cl2N3O — CID 119852953

IUPAC4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1cccc(CN2CCCCC2)c1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-18-10-6-9-17(21)19-16-8-5-7-15(13-16)14-20-11-3-2-4-12-20;;/h5,7-8,13,18H,2-4,6,9-12,14H2,1H3,(H,19,21);2*1H
InChIKeyFFBDFSZEYSUZSH-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.45
Rot. Bonds7

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

4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride (PubChem CID 119852953) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
PubChem CID119852953
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
SMILESCNCCCC(=O)Nc1cccc(CN2CCCCC2)c1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-18-10-6-9-17(21)19-16-8-5-7-15(13-16)14-20-11-3-2-4-12-20;;/h5,7-8,13,18H,2-4,6,9-12,14H2,1H3,(H,19,21);2*1H
InChIKeyFFBDFSZEYSUZSH-UHFFFAOYSA-N
XLogP3.45
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119870392
4-(azepan-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131936661
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methylamino)butanamide
CID 119872315
N-[3-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 60755428
2-(methylamino)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 43704904
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
N-[3-[[4-(methylamino)butanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743696
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624
N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]octanamide
CID 60580118
methyl 2-[[3-[4-(methylamino)butanoylamino]phenyl]methylsulfanyl]acetate;hydrochloride
CID 119775526
3-pyrazol-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 46339350

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride (CID 119852953) is 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride is CNCCCC(=O)Nc1cccc(CN2CCCCC2)c1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride?
The InChIKey is FFBDFSZEYSUZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-18-10-6-9-17(21)19-16-8-5-7-15(13-16)14-20-11-3-2-4-12-20;;/h5,7-8,13,18H,2-4,6,9-12,14H2,1H3,(H,19,21);2*1H.
What are the key properties of 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride?
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119852953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).