4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride

C17H27ClN4O2 — CID 119786091

IUPAC4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-19-9-5-6-16(22)20-13-7-8-14(17(18)23)15(12-13)21-10-3-2-4-11-21;/h7-8,12,19H,2-6,9-11H2,1H3,(H2,18,23)(H,20,22);1H
InChIKeyCAKBOYVRBNUSHN-UHFFFAOYSA-N
MW354.88 g/mol
LogP2.14
Rot. Bonds7

About 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride

4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride (PubChem CID 119786091) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride
PubChem CID119786091
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride
SMILESCNCCCC(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1.Cl
InChIInChI=1S/C17H26N4O2.ClH/c1-19-9-5-6-16(22)20-13-7-8-14(17(18)23)15(12-13)21-10-3-2-4-11-21;/h7-8,12,19H,2-6,9-11H2,1H3,(H2,18,23)(H,20,22);1H
InChIKeyCAKBOYVRBNUSHN-UHFFFAOYSA-N
XLogP2.14
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-2-piperidin-1-ylbenzamide
CID 69312911
N-[3-(azepan-1-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119892130
4-[[2-(cyclopropylmethylamino)acetyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119786105
4-[[(2S)-2-aminobutanoyl]amino]-2-piperidin-1-ylbenzamide;hydrochloride
CID 119325043
4-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 54862533
2-piperidin-1-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119786123
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119870392
4-(methylamino)-N-[3-(piperidin-1-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119852953
4-(methylamino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119702385
2-fluoro-4-[4-(methylamino)butanoylamino]benzoic acid
CID 113342153
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-piperidin-1-ylbenzamide
CID 119325036
2-piperidin-1-yl-4-(pyridin-4-ylmethylamino)benzamide
CID 122131807

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride?
The IUPAC name of 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride (CID 119786091) is 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride?
The canonical SMILES for 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride is CNCCCC(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1.Cl.
What is the InChIKey of 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride?
The InChIKey is CAKBOYVRBNUSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.ClH/c1-19-9-5-6-16(22)20-13-7-8-14(17(18)23)15(12-13)21-10-3-2-4-11-21;/h7-8,12,19H,2-6,9-11H2,1H3,(H2,18,23)(H,20,22);1H.
What are the key properties of 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride?
4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride has a molecular weight of 354.88 g/mol, XLogP of 2.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)butanoylamino]-2-piperidin-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 119786091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).