[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride

C15H21Cl2N5O — CID 119469483

IUPAC[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCCN1C(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C15H19N5O.2ClH/c16-10-13-3-1-2-7-20(13)15(21)12-4-5-18-14(9-12)19-8-6-17-11-19;;/h4-6,8-9,11,13H,1-3,7,10,16H2;2*1H
InChIKeyNBTGEGNEVRNEQP-UHFFFAOYSA-N
MW358.27 g/mol
LogP2.06
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride

[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride (PubChem CID 119469483) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride
PubChem CID119469483
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride
SMILESCl.Cl.NCC1CCCCN1C(=O)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C15H19N5O.2ClH/c16-10-13-3-1-2-7-20(13)15(21)12-4-5-18-14(9-12)19-8-6-17-11-19;;/h4-6,8-9,11,13H,1-3,7,10,16H2;2*1H
InChIKeyNBTGEGNEVRNEQP-UHFFFAOYSA-N
XLogP2.06
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride with MolForge

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Related Compounds

[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 95580405
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616496
(2-imidazol-1-yl-4-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 51092101
(4-cyclobutyl-4-hydroxypiperidin-1-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 136566028
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 119591870
4-[2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 119260194
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
[(2S)-2-(aminomethyl)piperidin-1-yl]-(3-pyridin-4-yloxyphenyl)methanone
CID 125135136
N-cyclobutyl-N-(cyclopropylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166222406
(2-imidazol-1-yl-4-pyridinyl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95281721

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride (CID 119469483) is [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride is Cl.Cl.NCC1CCCCN1C(=O)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride?
The InChIKey is NBTGEGNEVRNEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c16-10-13-3-1-2-7-20(13)15(21)12-4-5-18-14(9-12)19-8-6-17-11-19;;/h4-6,8-9,11,13H,1-3,7,10,16H2;2*1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(2-imidazol-1-yl-4-pyridinyl)methanone;dihydrochloride is sourced from PubChem (CID 119469483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).