[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone

C19H26N4O2 — CID 155506967

IUPAC[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C[C@H]1O
InChIInChI=1S/C19H26N4O2/c20-14-6-5-13(11-17(14)24)19(25)23-9-7-12(8-10-23)18-21-15-3-1-2-4-16(15)22-18/h1-4,12-14,17,24H,5-11,20H2,(H,21,22)/t13-,14+,17+/m0/s1
InChIKeyPXIPUKQJJDWPDN-JJRVBVJISA-N
MW342.44 g/mol
LogP1.76
Rot. Bonds2

About [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone

[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 155506967) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID155506967
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C[C@H]1O
InChIInChI=1S/C19H26N4O2/c20-14-6-5-13(11-17(14)24)19(25)23-9-7-12(8-10-23)18-21-15-3-1-2-4-16(15)22-18/h1-4,12-14,17,24H,5-11,20H2,(H,21,22)/t13-,14+,17+/m0/s1
InChIKeyPXIPUKQJJDWPDN-JJRVBVJISA-N
XLogP1.76
TPSA95.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587171
4-(1H-benzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 116985498
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 51308055
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 55576245
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 134053570
(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 154817199
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone (CID 155506967) is [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone is N[C@@H]1CC[C@H](C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C[C@H]1O.
What is the InChIKey of [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is PXIPUKQJJDWPDN-JJRVBVJISA-N. The full InChI is InChI=1S/C19H26N4O2/c20-14-6-5-13(11-17(14)24)19(25)23-9-7-12(8-10-23)18-21-15-3-1-2-4-16(15)22-18/h1-4,12-14,17,24H,5-11,20H2,(H,21,22)/t13-,14+,17+/m0/s1.
What are the key properties of [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone?
[(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-4-amino-3-hydroxycyclohexyl]-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 155506967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).