N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide

C16H29N3O2 — CID 107180717

IUPACN-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide
SMILESCC1(C)CCCC1C(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C16H29N3O2/c1-16(2)7-3-6-13(16)15(21)19-10-4-5-12(11-19)14(20)18-9-8-17/h12-13H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyRYUOOGYVXJDAHG-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.13
Rot. Bonds4

About N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide (PubChem CID 107180717) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide
PubChem CID107180717
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide
SMILESCC1(C)CCCC1C(=O)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C16H29N3O2/c1-16(2)7-3-6-13(16)15(21)19-10-4-5-12(11-19)14(20)18-9-8-17/h12-13H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyRYUOOGYVXJDAHG-UHFFFAOYSA-N
XLogP1.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(cyclopent-3-ene-1-carbonyl)piperidine-3-carboxamide
CID 64766671
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384
[3-(aminomethyl)pyrrolidin-1-yl]-(2,2-dimethylcyclopentyl)methanone
CID 107180661
N-(2-aminoethyl)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxamide;hydrochloride
CID 119480453
N-(2-aminoethyl)-1-(2-cyclobutylacetyl)piperidine-3-carboxamide
CID 103806108
N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 119479640
N-(2-aminoethyl)-1-[1-(2-methylpropylcarbamoyl)piperidine-3-carbonyl]piperidine-3-carboxamide
CID 119480787
N-(2-aminoethyl)-1-(2-cyclohexylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119260266
N-(2-aminoethyl)-1-(1-propylpyrrolidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119479435
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide (CID 107180717) is N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide is CC1(C)CCCC1C(=O)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide?
The InChIKey is RYUOOGYVXJDAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-16(2)7-3-6-13(16)15(21)19-10-4-5-12(11-19)14(20)18-9-8-17/h12-13H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(2,2-dimethylcyclopentanecarbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 107180717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).