N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride

C19H37ClN4O — CID 120899912

IUPACN-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCC1CCC(NC(=O)CN2CCN(CC3(C)CCNC3)CC2)CC1.Cl
InChIInChI=1S/C19H36N4O.ClH/c1-16-3-5-17(6-4-16)21-18(24)13-22-9-11-23(12-10-22)15-19(2)7-8-20-14-19;/h16-17,20H,3-15H2,1-2H3,(H,21,24);1H
InChIKeyUUTLVMJSGGEFFC-UHFFFAOYSA-N
MW372.99 g/mol
LogP1.72
Rot. Bonds5

About N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride

N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride (PubChem CID 120899912) has the molecular formula C19H37ClN4O and a molecular weight of 372.99 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
PubChem CID120899912
Molecular FormulaC19H37ClN4O
Molecular Weight372.99 g/mol
Exact Mass372.27
IUPAC NameN-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
SMILESCC1CCC(NC(=O)CN2CCN(CC3(C)CCNC3)CC2)CC1.Cl
InChIInChI=1S/C19H36N4O.ClH/c1-16-3-5-17(6-4-16)21-18(24)13-22-9-11-23(12-10-22)15-19(2)7-8-20-14-19;/h16-17,20H,3-15H2,1-2H3,(H,21,24);1H
InChIKeyUUTLVMJSGGEFFC-UHFFFAOYSA-N
XLogP1.72
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,7-diazaspiro[3.5]nonan-7-yl)-N-(4-methylcyclohexyl)acetamide
CID 156836877
N-butan-2-yl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898228
2-cyclopentyl-N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetamide
CID 120903296
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876665
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 120903015
1-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120897299
N-benzyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride
CID 120898003
2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 107407896
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385
2-[4-[(3-methylpyrrolidin-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 120898244
N-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-3-yl]acetamide;hydrochloride
CID 120898475
N,N-diethyl-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide
CID 120897865

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride (CID 120899912) is N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride is CC1CCC(NC(=O)CN2CCN(CC3(C)CCNC3)CC2)CC1.Cl.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is UUTLVMJSGGEFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O.ClH/c1-16-3-5-17(6-4-16)21-18(24)13-22-9-11-23(12-10-22)15-19(2)7-8-20-14-19;/h16-17,20H,3-15H2,1-2H3,(H,21,24);1H.
What are the key properties of N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride?
N-(4-methylcyclohexyl)-2-[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 372.99 g/mol, XLogP of 1.72, 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-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 120899912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).