N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride

C15H24Cl2N4O2 — CID 119480906

IUPACN-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1ncccc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-11-13(5-2-7-17-11)15(21)19-9-3-4-12(10-19)14(20)18-8-6-16;;/h2,5,7,12H,3-4,6,8-10,16H2,1H3,(H,18,20);2*1H
InChIKeyOIPVPKUXXSIOBK-UHFFFAOYSA-N
MW363.29 g/mol
LogP1.16
Rot. Bonds4

About N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride

N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 119480906) has the molecular formula C15H24Cl2N4O2 and a molecular weight of 363.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID119480906
Molecular FormulaC15H24Cl2N4O2
Molecular Weight363.29 g/mol
Exact Mass362.13
IUPAC NameN-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCc1ncccc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl
InChIInChI=1S/C15H22N4O2.2ClH/c1-11-13(5-2-7-17-11)15(21)19-9-3-4-12(10-19)14(20)18-8-6-16;;/h2,5,7,12H,3-4,6,8-10,16H2,1H3,(H,18,20);2*1H
InChIKeyOIPVPKUXXSIOBK-UHFFFAOYSA-N
XLogP1.16
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-(2-methyl-3-pyridinyl)methanone;dihydrochloride
CID 120727378
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-(2-propylsulfonylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481442
N-(2-aminoethyl)-1-[2-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119481079
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(2-pyridin-2-yl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 126786202
N-(2-aminoethyl)-1-(2-methyl-1,3-thiazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482370
N-(2-aminoethyl)-1-(2-benzylbenzoyl)piperidine-3-carboxamide
CID 119480881
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(2-methyl-5-nitrobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119479704
N-(2-aminoethyl)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119481606

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride (CID 119480906) is N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride is Cc1ncccc1C(=O)N1CCCC(C(=O)NCCN)C1.Cl.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is OIPVPKUXXSIOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2.2ClH/c1-11-13(5-2-7-17-11)15(21)19-9-3-4-12(10-19)14(20)18-8-6-16;;/h2,5,7,12H,3-4,6,8-10,16H2,1H3,(H,18,20);2*1H.
What are the key properties of N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride?
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 363.29 g/mol, XLogP of 1.16, 4 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-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119480906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).