2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride

C19H29Cl3N4O2 — CID 119833693

IUPAC2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CCCCC1
InChIInChI=1S/C19H27ClN4O2.2ClH/c20-15-6-2-3-7-16(15)22-17(25)14-23-10-12-24(13-11-23)18(26)19(21)8-4-1-5-9-19;;/h2-3,6-7H,1,4-5,8-14,21H2,(H,22,25);2*1H
InChIKeyCOLNOHAFQPZRLY-UHFFFAOYSA-N
MW451.83 g/mol
LogP2.93
Rot. Bonds4

About 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride

2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride (PubChem CID 119833693) has the molecular formula C19H29Cl3N4O2 and a molecular weight of 451.83 g/mol. Its IUPAC name is 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
PubChem CID119833693
Molecular FormulaC19H29Cl3N4O2
Molecular Weight451.83 g/mol
Exact Mass450.14
IUPAC Name2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CCCCC1
InChIInChI=1S/C19H27ClN4O2.2ClH/c20-15-6-2-3-7-16(15)22-17(25)14-23-10-12-24(13-11-23)18(26)19(21)8-4-1-5-9-19;;/h2-3,6-7H,1,4-5,8-14,21H2,(H,22,25);2*1H
InChIKeyCOLNOHAFQPZRLY-UHFFFAOYSA-N
XLogP2.93
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.83
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 119833340
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833652
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17498493
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride (CID 119833693) is 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride is Cl.Cl.NC1(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CCCCC1.
What is the InChIKey of 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
The InChIKey is COLNOHAFQPZRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O2.2ClH/c20-15-6-2-3-7-16(15)22-17(25)14-23-10-12-24(13-11-23)18(26)19(21)8-4-1-5-9-19;;/h2-3,6-7H,1,4-5,8-14,21H2,(H,22,25);2*1H.
What are the key properties of 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride?
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride has a molecular weight of 451.83 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride is sourced from PubChem (CID 119833693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).