N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide

C15H31N3O2 — CID 63252237

IUPACN-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide
SMILESCOC(C)(C)CC(C)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H31N3O2/c1-12(10-15(2,3)20-4)18-9-5-6-13(11-18)14(19)17-8-7-16/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyJMWQCLOPJQNOQG-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.98
Rot. Bonds7

About N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide

N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide (PubChem CID 63252237) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide
PubChem CID63252237
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC NameN-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide
SMILESCOC(C)(C)CC(C)N1CCCC(C(=O)NCCN)C1
InChIInChI=1S/C15H31N3O2/c1-12(10-15(2,3)20-4)18-9-5-6-13(11-18)14(19)17-8-7-16/h12-13H,5-11,16H2,1-4H3,(H,17,19)
InChIKeyJMWQCLOPJQNOQG-UHFFFAOYSA-N
XLogP0.98
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119917040
N-(2-aminoethyl)-1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-3-carboxamide;hydrochloride
CID 119916714
N-(2-aminoethyl)-1-(1-phenylethyl)piperidine-3-carboxamide;hydrochloride
CID 119916721
N-(2-aminoethyl)-1-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]piperidine-3-carboxamide
CID 63754604
tert-butyl 2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]acetate
CID 63253049
N-(2-aminoethyl)-1-[1-(2-fluorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119916645
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-[1-(2-methylpropyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 119479640
N-(2-aminoethyl)-1-(3-methylbutylsulfonyl)piperidine-3-carboxamide
CID 63857526
N-(2-aminoethyl)-1-propanoylpiperidine-3-carboxamide;hydrochloride
CID 119385384

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide (CID 63252237) is N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide is COC(C)(C)CC(C)N1CCCC(C(=O)NCCN)C1.
What is the InChIKey of N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide?
The InChIKey is JMWQCLOPJQNOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(10-15(2,3)20-4)18-9-5-6-13(11-18)14(19)17-8-7-16/h12-13H,5-11,16H2,1-4H3,(H,17,19).
What are the key properties of N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide?
N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-(4-methoxy-4-methylpentan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 63252237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).