2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride

C16H31ClN4O2 — CID 119925750

IUPAC2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
SMILESCC(N)C1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-12(17)13-6-5-9-20(10-13)11-15(21)19-16(22)18-14-7-3-2-4-8-14;/h12-14H,2-11,17H2,1H3,(H2,18,19,21,22);1H
InChIKeyWHZPPGWRPJZLAD-UHFFFAOYSA-N
MW346.90 g/mol
LogP1.63
Rot. Bonds4

About 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride (PubChem CID 119925750) has the molecular formula C16H31ClN4O2 and a molecular weight of 346.90 g/mol. Its IUPAC name is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
PubChem CID119925750
Molecular FormulaC16H31ClN4O2
Molecular Weight346.90 g/mol
Exact Mass346.21
IUPAC Name2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
SMILESCC(N)C1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1.Cl
InChIInChI=1S/C16H30N4O2.ClH/c1-12(17)13-6-5-9-20(10-13)11-15(21)19-16(22)18-14-7-3-2-4-8-14;/h12-14H,2-11,17H2,1H3,(H2,18,19,21,22);1H
InChIKeyWHZPPGWRPJZLAD-UHFFFAOYSA-N
XLogP1.63
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119925640
2-[3-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide;hydrochloride
CID 119925682
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(ethylcarbamoyl)acetamide;hydrochloride
CID 119925446
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 102977459
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
2-[3-(1-aminoethyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 112630035
1-[2-[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea
CID 99776111
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 63845041
N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
CID 119917165
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
2-(4-aminopiperidin-1-yl)-N-(cyclohexylcarbamoyl)acetamide
CID 43556566

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride?
The IUPAC name of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride (CID 119925750) is 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride?
The canonical SMILES for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride is CC(N)C1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1.Cl.
What is the InChIKey of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride?
The InChIKey is WHZPPGWRPJZLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.ClH/c1-12(17)13-6-5-9-20(10-13)11-15(21)19-16(22)18-14-7-3-2-4-8-14;/h12-14H,2-11,17H2,1H3,(H2,18,19,21,22);1H.
What are the key properties of 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride?
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride is sourced from PubChem (CID 119925750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).