N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride

C19H36Cl2N4O2 — CID 119876672

IUPACN-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCC1CCC(NC(=O)CN2CCN(C(=O)CC3CCCN3)CC2)CC1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-15-4-6-16(7-5-15)21-18(24)14-22-9-11-23(12-10-22)19(25)13-17-3-2-8-20-17;;/h15-17,20H,2-14H2,1H3,(H,21,24);2*1H
InChIKeyHDCUPTAEZDHRHQ-UHFFFAOYSA-N
MW423.43 g/mol
LogP1.81
Rot. Bonds5

About N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride

N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119876672) has the molecular formula C19H36Cl2N4O2 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119876672
Molecular FormulaC19H36Cl2N4O2
Molecular Weight423.43 g/mol
Exact Mass422.22
IUPAC NameN-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCC1CCC(NC(=O)CN2CCN(C(=O)CC3CCCN3)CC2)CC1.Cl.Cl
InChIInChI=1S/C19H34N4O2.2ClH/c1-15-4-6-16(7-5-15)21-18(24)14-22-9-11-23(12-10-22)19(25)13-17-3-2-8-20-17;;/h15-17,20H,2-14H2,1H3,(H,21,24);2*1H
InChIKeyHDCUPTAEZDHRHQ-UHFFFAOYSA-N
XLogP1.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119844022
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
2-methyl-N-[1-(2-pyrrolidin-2-ylacetyl)piperidin-4-yl]propanamide;hydrochloride
CID 119734420
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833345
N-cyclohexyl-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide
CID 119727444
2-[4-(4-aminobutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876677
N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
CID 119837520
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide;dihydrochloride
CID 120503708
N-cyclopropyl-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 110709694

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119876672) is N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride is CC1CCC(NC(=O)CN2CCN(C(=O)CC3CCCN3)CC2)CC1.Cl.Cl.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is HDCUPTAEZDHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.2ClH/c1-15-4-6-16(7-5-15)21-18(24)14-22-9-11-23(12-10-22)19(25)13-17-3-2-8-20-17;;/h15-17,20H,2-14H2,1H3,(H,21,24);2*1H.
What are the key properties of N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride?
N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 423.43 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119876672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).