N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

C20H32Cl2N4O2 — CID 119833581

IUPACN-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)C3CCCNC3)CC2)c1C.Cl.Cl
InChIInChI=1S/C20H30N4O2.2ClH/c1-15-5-3-7-18(16(15)2)22-19(25)14-23-9-11-24(12-10-23)20(26)17-6-4-8-21-13-17;;/h3,5,7,17,21H,4,6,8-14H2,1-2H3,(H,22,25);2*1H
InChIKeyZKSNZAWESBEONA-UHFFFAOYSA-N
MW431.41 g/mol
LogP2.23
Rot. Bonds4

About N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119833581) has the molecular formula C20H32Cl2N4O2 and a molecular weight of 431.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119833581
Molecular FormulaC20H32Cl2N4O2
Molecular Weight431.41 g/mol
Exact Mass430.19
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)C3CCCNC3)CC2)c1C.Cl.Cl
InChIInChI=1S/C20H30N4O2.2ClH/c1-15-5-3-7-18(16(15)2)22-19(25)14-23-9-11-24(12-10-23)20(26)17-6-4-8-21-13-17;;/h3,5,7,17,21H,4,6,8-14H2,1-2H3,(H,22,25);2*1H
InChIKeyZKSNZAWESBEONA-UHFFFAOYSA-N
XLogP2.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 119833358
N-(2,3-dimethylphenyl)-2-[4-(morpholine-2-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833634
N-phenyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119840821
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-cyclopropyl-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119835230
N-(2,3-dimethylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923569
2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 55702952
N-[1-[2-(2,3-dimethylanilino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 3220746
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
2-[4-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8694672

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119833581) is N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCCNC3)CC2)c1C.Cl.Cl.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is ZKSNZAWESBEONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2.2ClH/c1-15-5-3-7-18(16(15)2)22-19(25)14-23-9-11-24(12-10-23)20(26)17-6-4-8-21-13-17;;/h3,5,7,17,21H,4,6,8-14H2,1-2H3,(H,22,25);2*1H.
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 431.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-(piperidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119833581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).