N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride

C24H36Cl2N4O — CID 120648211

IUPACN-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride
SMILESCC(C)N1CCN(c2ccc(C(=O)N(CCCN)Cc3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C24H34N4O.2ClH/c1-20(2)26-15-17-27(18-16-26)23-11-9-22(10-12-23)24(29)28(14-6-13-25)19-21-7-4-3-5-8-21;;/h3-5,7-12,20H,6,13-19,25H2,1-2H3;2*1H
InChIKeyIVGTWRKNRRSXTC-UHFFFAOYSA-N
MW467.49 g/mol
LogP4.05
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride

N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride (PubChem CID 120648211) has the molecular formula C24H36Cl2N4O and a molecular weight of 467.49 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride
PubChem CID120648211
Molecular FormulaC24H36Cl2N4O
Molecular Weight467.49 g/mol
Exact Mass466.23
IUPAC NameN-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride
SMILESCC(C)N1CCN(c2ccc(C(=O)N(CCCN)Cc3ccccc3)cc2)CC1.Cl.Cl
InChIInChI=1S/C24H34N4O.2ClH/c1-20(2)26-15-17-27(18-16-26)23-11-9-22(10-12-23)24(29)28(14-6-13-25)19-21-7-4-3-5-8-21;;/h3-5,7-12,20H,6,13-19,25H2,1-2H3;2*1H
InChIKeyIVGTWRKNRRSXTC-UHFFFAOYSA-N
XLogP4.05
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-6-methylpyridine-3-carboxamide;dihydrochloride
CID 120649613
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-N-benzyl-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120649497
N-(3-aminopropyl)-N-benzyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120648106
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
N-(2-aminoethyl)-N-(2-phenylethyl)-4-piperidin-1-ylbenzamide
CID 120884964
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770
N-(3-aminopropyl)-N-benzyl-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 120649857

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride (CID 120648211) is N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride is CC(C)N1CCN(c2ccc(C(=O)N(CCCN)Cc3ccccc3)cc2)CC1.Cl.Cl.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride?
The InChIKey is IVGTWRKNRRSXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O.2ClH/c1-20(2)26-15-17-27(18-16-26)23-11-9-22(10-12-23)24(29)28(14-6-13-25)19-21-7-4-3-5-8-21;;/h3-5,7-12,20H,6,13-19,25H2,1-2H3;2*1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride?
N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride has a molecular weight of 467.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-4-(4-propan-2-ylpiperazin-1-yl)benzamide;dihydrochloride is sourced from PubChem (CID 120648211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).