N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride

C17H25Cl2N5O — CID 119825937

IUPACN-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
SMILESCCCN(C(=O)c1cccc(-n2cncn2)c1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-2-10-21(15-6-8-18-9-7-15)17(23)14-4-3-5-16(11-14)22-13-19-12-20-22;;/h3-5,11-13,15,18H,2,6-10H2,1H3;2*1H
InChIKeyLMUGZMXYLOBRGU-UHFFFAOYSA-N
MW386.33 g/mol
LogP2.72
Rot. Bonds5

About N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride

N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride (PubChem CID 119825937) has the molecular formula C17H25Cl2N5O and a molecular weight of 386.33 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
PubChem CID119825937
Molecular FormulaC17H25Cl2N5O
Molecular Weight386.33 g/mol
Exact Mass385.14
IUPAC NameN-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride
SMILESCCCN(C(=O)c1cccc(-n2cncn2)c1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H23N5O.2ClH/c1-2-10-21(15-6-8-18-9-7-15)17(23)14-4-3-5-16(11-14)22-13-19-12-20-22;;/h3-5,11-13,15,18H,2,6-10H2,1H3;2*1H
InChIKeyLMUGZMXYLOBRGU-UHFFFAOYSA-N
XLogP2.72
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-piperidin-4-yl-N-propyl-4-(1,2,4-triazol-1-yl)benzamide
CID 119826397
2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119194616
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
N-piperidin-4-yl-N-propyl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 119824042
3-cyano-N-piperidin-4-yl-N-propylbenzamide
CID 60806422
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532470
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
3-(methylsulfinylmethyl)-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823512
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-(cyclopropanecarbonylamino)-N-piperidin-4-yl-N-propylbenzamide
CID 119824906

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride (CID 119825937) is N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride is CCCN(C(=O)c1cccc(-n2cncn2)c1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
The InChIKey is LMUGZMXYLOBRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.2ClH/c1-2-10-21(15-6-8-18-9-7-15)17(23)14-4-3-5-16(11-14)22-13-19-12-20-22;;/h3-5,11-13,15,18H,2,6-10H2,1H3;2*1H.
What are the key properties of N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride?
N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride has a molecular weight of 386.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-3-(1,2,4-triazol-1-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119825937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).