3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride

C15H25Cl2N3O — CID 119851488

IUPAC3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
SMILESCC(CN1CCCCC1)NC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(16)10-13;;/h5-7,10,12H,2-4,8-9,11,16H2,1H3,(H,17,19);2*1H
InChIKeyHYWDPSAAVDPJDU-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.72
Rot. Bonds4

About 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride

3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride (PubChem CID 119851488) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
PubChem CID119851488
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
SMILESCC(CN1CCCCC1)NC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(16)10-13;;/h5-7,10,12H,2-4,8-9,11,16H2,1H3,(H,17,19);2*1H
InChIKeyHYWDPSAAVDPJDU-UHFFFAOYSA-N
XLogP2.72
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-piperidin-1-ylpropan-2-yl)-3-sulfanylbenzamide
CID 107025389
3-iodo-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 54937836
3-amino-N-[(2S)-butan-2-yl]benzamide
CID 42427278
4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851476
3-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60508452
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
methyl 3-[(3-aminobenzoyl)amino]butanoate;hydrochloride
CID 119695196
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
6-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 55041432
5-iodo-N-(1-piperidin-1-ylpropan-2-yl)thiophene-3-carboxamide
CID 78950186

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride (CID 119851488) is 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride is CC(CN1CCCCC1)NC(=O)c1cccc(N)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride?
The InChIKey is HYWDPSAAVDPJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(16)10-13;;/h5-7,10,12H,2-4,8-9,11,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride?
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119851488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).