3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride

C20H29Cl2N5O2 — CID 119555811

IUPAC3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(CCn1ccnc1)Nc1cccc(C(=O)NCCC2CCCNC2)c1
InChIInChI=1S/C20H27N5O2.2ClH/c26-19(7-11-25-12-10-22-15-25)24-18-5-1-4-17(13-18)20(27)23-9-6-16-3-2-8-21-14-16;;/h1,4-5,10,12-13,15-16,21H,2-3,6-9,11,14H2,(H,23,27)(H,24,26);2*1H
InChIKeyTWHMJMNQTHSTDZ-UHFFFAOYSA-N
MW442.39 g/mol
LogP2.88
Rot. Bonds8

About 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride

3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride (PubChem CID 119555811) has the molecular formula C20H29Cl2N5O2 and a molecular weight of 442.39 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
PubChem CID119555811
Molecular FormulaC20H29Cl2N5O2
Molecular Weight442.39 g/mol
Exact Mass441.17
IUPAC Name3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
SMILESCl.Cl.O=C(CCn1ccnc1)Nc1cccc(C(=O)NCCC2CCCNC2)c1
InChIInChI=1S/C20H27N5O2.2ClH/c26-19(7-11-25-12-10-22-15-25)24-18-5-1-4-17(13-18)20(27)23-9-6-16-3-2-8-21-14-16;;/h1,4-5,10,12-13,15-16,21H,2-3,6-9,11,14H2,(H,23,27)(H,24,26);2*1H
InChIKeyTWHMJMNQTHSTDZ-UHFFFAOYSA-N
XLogP2.88
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391382
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
N-[2-(ethylamino)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119505500
4-(imidazol-1-ylmethyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119559215
3-(dimethylcarbamoylamino)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558110
N-[2-(aminomethyl)cyclohexyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119609806
N-cyclohexyl-N-ethyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124293
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
3-(carbamoylamino)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534577
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride?
The IUPAC name of 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride (CID 119555811) is 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride.
What is the SMILES notation for 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride?
The canonical SMILES for 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride is Cl.Cl.O=C(CCn1ccnc1)Nc1cccc(C(=O)NCCC2CCCNC2)c1.
What is the InChIKey of 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride?
The InChIKey is TWHMJMNQTHSTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.2ClH/c26-19(7-11-25-12-10-22-15-25)24-18-5-1-4-17(13-18)20(27)23-9-6-16-3-2-8-21-14-16;;/h1,4-5,10,12-13,15-16,21H,2-3,6-9,11,14H2,(H,23,27)(H,24,26);2*1H.
What are the key properties of 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride?
3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride has a molecular weight of 442.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride is sourced from PubChem (CID 119555811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).