N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride

C17H26Cl2N4OS — CID 119855269

IUPACN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride
SMILESCSCCC(NC(=O)C1CCNCC1)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C17H24N4OS.2ClH/c1-23-11-8-15(21-17(22)12-6-9-18-10-7-12)16-19-13-4-2-3-5-14(13)20-16;;/h2-5,12,15,18H,6-11H2,1H3,(H,19,20)(H,21,22);2*1H
InChIKeyIMGPZZPSFHXNPE-UHFFFAOYSA-N
MW405.40 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride

N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119855269) has the molecular formula C17H26Cl2N4OS and a molecular weight of 405.40 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119855269
Molecular FormulaC17H26Cl2N4OS
Molecular Weight405.40 g/mol
Exact Mass404.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride
SMILESCSCCC(NC(=O)C1CCNCC1)c1nc2ccccc2[nH]1.Cl.Cl
InChIInChI=1S/C17H24N4OS.2ClH/c1-23-11-8-15(21-17(22)12-6-9-18-10-7-12)16-19-13-4-2-3-5-14(13)20-16;;/h2-5,12,15,18H,6-11H2,1H3,(H,19,20)(H,21,22);2*1H
InChIKeyIMGPZZPSFHXNPE-UHFFFAOYSA-N
XLogP3.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclopentanecarboxamide
CID 2531246
3-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119855277
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-propanoylpiperidine-3-carboxamide
CID 51960823
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 47066856
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597252
2-amino-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 119855298
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 125141542
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
CID 2114874
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(methylamino)butanamide;dihydrochloride
CID 119855271
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2447828
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
CID 46603847
N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-fluoropyridine-3-carboxamide
CID 99624790

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride (CID 119855269) is N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride is CSCCC(NC(=O)C1CCNCC1)c1nc2ccccc2[nH]1.Cl.Cl.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is IMGPZZPSFHXNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS.2ClH/c1-23-11-8-15(21-17(22)12-6-9-18-10-7-12)16-19-13-4-2-3-5-14(13)20-16;;/h2-5,12,15,18H,6-11H2,1H3,(H,19,20)(H,21,22);2*1H.
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride?
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 405.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119855269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).