N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride

C17H32ClN5O3 — CID 119917165

IUPACN-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H31N5O3.ClH/c18-8-9-19-16(24)13-5-4-10-22(11-13)12-15(23)21-17(25)20-14-6-2-1-3-7-14;/h13-14H,1-12,18H2,(H,19,24)(H2,20,21,23,25);1H
InChIKeyCTJDCZZDWCBSJF-UHFFFAOYSA-N
MW389.93 g/mol
LogP0.35
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119917165) has the molecular formula C17H32ClN5O3 and a molecular weight of 389.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119917165
Molecular FormulaC17H32ClN5O3
Molecular Weight389.93 g/mol
Exact Mass389.22
IUPAC NameN-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)C1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1
InChIInChI=1S/C17H31N5O3.ClH/c18-8-9-19-16(24)13-5-4-10-22(11-13)12-15(23)21-17(25)20-14-6-2-1-3-7-14;/h13-14H,1-12,18H2,(H,19,24)(H2,20,21,23,25);1H
InChIKeyCTJDCZZDWCBSJF-UHFFFAOYSA-N
XLogP0.35
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[2-(cyclopentylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 63252704
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 102977459
N-(2-aminoethyl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxamide
CID 63252834
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750
N-(2-aminoethyl)-1-(2-bromoprop-2-enyl)piperidine-3-carboxamide
CID 63253099
N-[1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860953
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(cyclohexylcarbamoyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119905800
N-(2-aminoethyl)-1-(2-hydroxyethyl)piperidine-3-carboxamide
CID 63253182
N-(2-aminoethyl)-1-prop-2-enylpiperidine-3-carboxamide;hydrochloride
CID 119916925
N-(2-aminoethyl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 63253004

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride (CID 119917165) is N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(CC(=O)NC(=O)NC2CCCCC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is CTJDCZZDWCBSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3.ClH/c18-8-9-19-16(24)13-5-4-10-22(11-13)12-15(23)21-17(25)20-14-6-2-1-3-7-14;/h13-14H,1-12,18H2,(H,19,24)(H2,20,21,23,25);1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(cyclohexylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119917165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).