N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide

C18H33N3O2 — CID 119479640

IUPACN-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide
SMILESCC(C)CC1(C(=O)N2CCCC(C(=O)NCCN)C2)CCCC1
InChIInChI=1S/C18H33N3O2/c1-14(2)12-18(7-3-4-8-18)17(23)21-11-5-6-15(13-21)16(22)20-10-9-19/h14-15H,3-13,19H2,1-2H3,(H,20,22)
InChIKeyQPSLVWOYZWBGJY-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.91
Rot. Bonds6

About N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide (PubChem CID 119479640) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide
PubChem CID119479640
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC NameN-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide
SMILESCC(C)CC1(C(=O)N2CCCC(C(=O)NCCN)C2)CCCC1
InChIInChI=1S/C18H33N3O2/c1-14(2)12-18(7-3-4-8-18)17(23)21-11-5-6-15(13-21)16(22)20-10-9-19/h14-15H,3-13,19H2,1-2H3,(H,20,22)
InChIKeyQPSLVWOYZWBGJY-UHFFFAOYSA-N
XLogP1.91
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480453
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
CID 119479980
N-(2-aminoethyl)-1-(2-methoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 119482363
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
N-(2-aminoethyl)-1-[1-(2-methylphenyl)cyclohexanecarbonyl]piperidine-3-carboxamide
CID 119480049
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide
CID 107180717
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-methylpropyl)cyclopentyl]methanone;hydrochloride
CID 119593126
N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 119480340
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119482486

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide (CID 119479640) is N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide is CC(C)CC1(C(=O)N2CCCC(C(=O)NCCN)C2)CCCC1.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide?
The InChIKey is QPSLVWOYZWBGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-14(2)12-18(7-3-4-8-18)17(23)21-11-5-6-15(13-21)16(22)20-10-9-19/h14-15H,3-13,19H2,1-2H3,(H,20,22).
What are the key properties of N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide has a molecular weight of 323.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).