N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride

C21H38ClN3O2 — CID 119436827

IUPACN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl
InChIInChI=1S/C21H37N3O2.ClH/c1-15(22)19-8-4-5-13-24(19)21(26)17-9-11-18(12-10-17)23-20(25)14-16-6-2-3-7-16;/h15-19H,2-14,22H2,1H3,(H,23,25);1H
InChIKeyYBHCQESTHXWGIB-UHFFFAOYSA-N
MW400.01 g/mol
LogP3.39
Rot. Bonds5

About N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride

N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride (PubChem CID 119436827) has the molecular formula C21H38ClN3O2 and a molecular weight of 400.01 g/mol. Its IUPAC name is N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride
PubChem CID119436827
Molecular FormulaC21H38ClN3O2
Molecular Weight400.01 g/mol
Exact Mass399.27
IUPAC NameN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl
InChIInChI=1S/C21H37N3O2.ClH/c1-15(22)19-8-4-5-13-24(19)21(26)17-9-11-18(12-10-17)23-20(25)14-16-6-2-3-7-16;/h15-19H,2-14,22H2,1H3,(H,23,25);1H
InChIKeyYBHCQESTHXWGIB-UHFFFAOYSA-N
XLogP3.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.01
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide
CID 119632663
(2S)-1-[4-[(2-cyclopentylacetyl)amino]cyclohexanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119365518
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylacetamide;hydrochloride
CID 119911198
[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone
CID 129414979
2-[4-(1-aminoethyl)cyclohexyl]-N-cyclohexylacetamide
CID 163685582
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(cyclopropylmethylamino)ethanone
CID 122080228
2-[2-(1-aminoethyl)piperidin-1-yl]-N-cycloheptylacetamide
CID 63255860
2-cyclopentyl-N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]acetamide
CID 119541337
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119911588
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119434405

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride?
The IUPAC name of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride (CID 119436827) is N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride is CC(N)C1CCCCN1C(=O)C1CCC(NC(=O)CC2CCCC2)CC1.Cl.
What is the InChIKey of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride?
The InChIKey is YBHCQESTHXWGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2.ClH/c1-15(22)19-8-4-5-13-24(19)21(26)17-9-11-18(12-10-17)23-20(25)14-16-6-2-3-7-16;/h15-19H,2-14,22H2,1H3,(H,23,25);1H.
What are the key properties of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride?
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride has a molecular weight of 400.01 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]cyclohexyl]-2-cyclopentylacetamide;hydrochloride is sourced from PubChem (CID 119436827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).