N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride

C16H22Cl2N4O2 — CID 154895328

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C16H20N4O2.2ClH/c1-20-9-8-18-15(20)11-4-2-3-5-12(11)16(22)19-13-6-7-17-10-14(13)21;;/h2-5,8-9,13-14,17,21H,6-7,10H2,1H3,(H,19,22);2*1H/t13-,14-;;/m1../s1
InChIKeyVALVCJAJTJVQEQ-KFWOVWKUSA-N
MW373.28 g/mol
LogP1.38
Rot. Bonds3

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride (PubChem CID 154895328) has the molecular formula C16H22Cl2N4O2 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride
PubChem CID154895328
Molecular FormulaC16H22Cl2N4O2
Molecular Weight373.28 g/mol
Exact Mass372.11
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride
SMILESCl.Cl.Cn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C16H20N4O2.2ClH/c1-20-9-8-18-15(20)11-4-2-3-5-12(11)16(22)19-13-6-7-17-10-14(13)21;;/h2-5,8-9,13-14,17,21H,6-7,10H2,1H3,(H,19,22);2*1H/t13-,14-;;/m1../s1
InChIKeyVALVCJAJTJVQEQ-KFWOVWKUSA-N
XLogP1.38
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
2-(1-methylimidazol-2-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449446
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 70788637
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
2-benzylsulfonyl-N-[(3R,4R)-3-hydroxypiperidin-4-yl]benzamide
CID 70708699
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
4-amino-N-[(3R)-3-hydroxypiperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 122445348
N-(3-methylpiperidin-4-yl)-2-morpholin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 120554046
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-methylphenyl)sulfanylacetamide
CID 70778374
2-chloro-N-[(3R,4R)-3-hydroxypiperidin-4-yl]-5-piperidin-1-ylbenzamide;hydrochloride
CID 154896397

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride (CID 154895328) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride is Cl.Cl.Cn1ccnc1-c1ccccc1C(=O)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride?
The InChIKey is VALVCJAJTJVQEQ-KFWOVWKUSA-N. The full InChI is InChI=1S/C16H20N4O2.2ClH/c1-20-9-8-18-15(20)11-4-2-3-5-12(11)16(22)19-13-6-7-17-10-14(13)21;;/h2-5,8-9,13-14,17,21H,6-7,10H2,1H3,(H,19,22);2*1H/t13-,14-;;/m1../s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride has a molecular weight of 373.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(1-methylimidazol-2-yl)benzamide;dihydrochloride is sourced from PubChem (CID 154895328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).