1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride

C18H29Cl2N3O — CID 22314798

IUPAC1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(N2CCN(Cc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C18H27N3O.2ClH/c19-17(22)18(9-5-2-6-10-18)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16;;/h1,3-4,7-8H,2,5-6,9-15H2,(H2,19,22);2*1H
InChIKeyMMKVMDYEZWYLFM-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride

1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 22314798) has the molecular formula C18H29Cl2N3O and a molecular weight of 374.36 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID22314798
Molecular FormulaC18H29Cl2N3O
Molecular Weight374.36 g/mol
Exact Mass373.17
IUPAC Name1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)C1(N2CCN(Cc3ccccc3)CC2)CCCCC1
InChIInChI=1S/C18H27N3O.2ClH/c19-17(22)18(9-5-2-6-10-18)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16;;/h1,3-4,7-8H,2,5-6,9-15H2,(H2,19,22);2*1H
InChIKeyMMKVMDYEZWYLFM-UHFFFAOYSA-N
XLogP2.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
(4-benzylpiperazin-1-yl)-(1-pyrrol-1-ylcyclohexyl)methanone
CID 46328243
1-benzyl-4-ethenylpiperidine-4-carboxamide
CID 23109456
[1-(4-benzylpiperazin-1-yl)cyclopropyl]methanol
CID 126508832
2-(4-benzylpiperazin-1-yl)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 111445977
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
3-amino-1-benzylpiperidine-3-carboxamide
CID 60795458
4-[1-(4-benzylpiperazin-1-yl)cyclohexyl]benzimidazole-4-carboxamide
CID 141028582
(1-aminocyclopropyl)-(4-benzyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119399364
1-(4-benzylpiperazin-1-yl)-2-chloroethanone;hydrochloride
CID 16806065
1-[2-(4-benzylpiperazin-1-yl)ethyl]cyclohexan-1-ol
CID 18430919
N-(1-benzylpyrrolidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131915786

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride (CID 22314798) is 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride is Cl.Cl.NC(=O)C1(N2CCN(Cc3ccccc3)CC2)CCCCC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is MMKVMDYEZWYLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.2ClH/c19-17(22)18(9-5-2-6-10-18)21-13-11-20(12-14-21)15-16-7-3-1-4-8-16;;/h1,3-4,7-8H,2,5-6,9-15H2,(H2,19,22);2*1H.
What are the key properties of 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride?
1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 374.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 22314798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).