N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride

C17H34Cl2N4O2 — CID 119479980

IUPACN-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
SMILESCC(C(=O)N1CCCC(C(=O)NCCN)C1)N1CCCCCC1.Cl.Cl
InChIInChI=1S/C17H32N4O2.2ClH/c1-14(20-10-4-2-3-5-11-20)17(23)21-12-6-7-15(13-21)16(22)19-9-8-18;;/h14-15H,2-13,18H2,1H3,(H,19,22);2*1H
InChIKeyLUMBYUIWKPWKPP-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.41
Rot. Bonds5

About N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119479980) has the molecular formula C17H34Cl2N4O2 and a molecular weight of 397.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119479980
Molecular FormulaC17H34Cl2N4O2
Molecular Weight397.39 g/mol
Exact Mass396.21
IUPAC NameN-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride
SMILESCC(C(=O)N1CCCC(C(=O)NCCN)C1)N1CCCCCC1.Cl.Cl
InChIInChI=1S/C17H32N4O2.2ClH/c1-14(20-10-4-2-3-5-11-20)17(23)21-12-6-7-15(13-21)16(22)19-9-8-18;;/h14-15H,2-13,18H2,1H3,(H,19,22);2*1H
InChIKeyLUMBYUIWKPWKPP-UHFFFAOYSA-N
XLogP1.41
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119482363
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CID 119385384
N-(2-aminoethyl)-1-(2-butylsulfanylpropanoyl)piperidine-3-carboxamide
CID 119480340
N-(2-aminoethyl)-1-[3-(cyclohexanecarbonylamino)butanoyl]piperidine-3-carboxamide
CID 119479921
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-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
N-(2-aminoethyl)-1-[2-(5-chlorothiophen-2-yl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119480023
N-(2-aminoethyl)-2-(azepan-1-yl)propanamide;dihydrochloride
CID 119382789
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-(dimethylamino)-2-phenylacetyl]piperidine-3-carboxamide;dihydrochloride
CID 119480715

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride (CID 119479980) is N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride is CC(C(=O)N1CCCC(C(=O)NCCN)C1)N1CCCCCC1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is LUMBYUIWKPWKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.2ClH/c1-14(20-10-4-2-3-5-11-20)17(23)21-12-6-7-15(13-21)16(22)19-9-8-18;;/h14-15H,2-13,18H2,1H3,(H,19,22);2*1H.
What are the key properties of N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(azepan-1-yl)propanoyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119479980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).