N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride

C16H30ClN3O2 — CID 119260266

IUPACN-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C16H29N3O2.ClH/c17-8-9-18-16(21)14-7-4-10-19(12-14)15(20)11-13-5-2-1-3-6-13;/h13-14H,1-12,17H2,(H,18,21);1H
InChIKeyDWHRJCTZXXGDLS-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.69
Rot. Bonds5

About N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119260266) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119260266
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC NameN-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(C(=O)CC2CCCCC2)C1
InChIInChI=1S/C16H29N3O2.ClH/c17-8-9-18-16(21)14-7-4-10-19(12-14)15(20)11-13-5-2-1-3-6-13;/h13-14H,1-12,17H2,(H,18,21);1H
InChIKeyDWHRJCTZXXGDLS-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119482486
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)acetyl]piperidine-3-carboxamide
CID 119482315
N-(2-aminoethyl)-1-(3-cyclopentylsulfonylpropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119481830
1-(2-cyclopentylacetyl)-N-cyclopropylpiperidine-3-carboxamide
CID 71935025
N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480453
N-(2-aminoethyl)-1-pent-4-enoylpiperidine-3-carboxamide
CID 63251976
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride (CID 119260266) is N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(C(=O)CC2CCCCC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is DWHRJCTZXXGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c17-8-9-18-16(21)14-7-4-10-19(12-14)15(20)11-13-5-2-1-3-6-13;/h13-14H,1-12,17H2,(H,18,21);1H.
What are the key properties of N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119260266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).