N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride

C13H26ClN3O — CID 131738593

IUPACN,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1(N2CCNCC2)CCCCC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-15(2)12(17)13(6-4-3-5-7-13)16-10-8-14-9-11-16;/h14H,3-11H2,1-2H3;1H
InChIKeyIWGWPKBMRGJTLV-UHFFFAOYSA-N
MW275.82 g/mol
LogP1.10
Rot. Bonds2

About N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride

N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride (PubChem CID 131738593) has the molecular formula C13H26ClN3O and a molecular weight of 275.82 g/mol. Its IUPAC name is N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride
PubChem CID131738593
Molecular FormulaC13H26ClN3O
Molecular Weight275.82 g/mol
Exact Mass275.18
IUPAC NameN,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride
SMILESCN(C)C(=O)C1(N2CCNCC2)CCCCC1.Cl
InChIInChI=1S/C13H25N3O.ClH/c1-15(2)12(17)13(6-4-3-5-7-13)16-10-8-14-9-11-16;/h14H,3-11H2,1-2H3;1H
InChIKeyIWGWPKBMRGJTLV-UHFFFAOYSA-N
XLogP1.10
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
CID 167739265
ethyl 1-(1,4-diazepan-1-yl)cyclohexane-1-carboxylate
CID 54890252
3-methyl-1-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 61002837
4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
CID 61244103
tert-butyl 1-(1,4-diazepan-1-yl)cyclobutane-1-carboxylate
CID 167715885
methyl 4,4-dimethyl-1-piperazin-1-ylcycloheptane-1-carboxylate
CID 65085861
2-(1-piperazin-1-ylcyclohexyl)acetic acid
CID 115035729
4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355
methyl 3-piperazin-1-ylthiane-3-carboxylate
CID 62872957
methyl 1,1-dioxo-4-piperazin-1-ylthiane-4-carboxylate
CID 54981399
3-fluoro-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
CID 130643464
methyl 1-piperazin-1-yl-4-propylcycloheptane-1-carboxylate
CID 65089164

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride (CID 131738593) is N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride is CN(C)C(=O)C1(N2CCNCC2)CCCCC1.Cl.
What is the InChIKey of N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride?
The InChIKey is IWGWPKBMRGJTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.ClH/c1-15(2)12(17)13(6-4-3-5-7-13)16-10-8-14-9-11-16;/h14H,3-11H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride?
N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-piperazin-1-ylcyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 131738593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).