[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

C16H26N4O2 — CID 154817637

IUPAC[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESN[C@@H]1C[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CC[C@H]1O
InChIInChI=1S/C16H26N4O2/c17-14-9-13(1-2-15(14)21)16(22)20-6-3-12(4-7-20)10-19-8-5-18-11-19/h5,8,11-15,21H,1-4,6-7,9-10,17H2/t13-,14+,15+/m0/s1
InChIKeyNDWDFXFIVTZYNA-RRFJBIMHSA-N
MW306.41 g/mol
LogP0.61
Rot. Bonds3

About [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 154817637) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID154817637
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESN[C@@H]1C[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CC[C@H]1O
InChIInChI=1S/C16H26N4O2/c17-14-9-13(1-2-15(14)21)16(22)20-6-3-12(4-7-20)10-19-8-5-18-11-19/h5,8,11-15,21H,1-4,6-7,9-10,17H2/t13-,14+,15+/m0/s1
InChIKeyNDWDFXFIVTZYNA-RRFJBIMHSA-N
XLogP0.61
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

methyl 4-(imidazol-1-ylmethyl)piperidine-1-carboxylate
CID 139900806
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
3-cyclopentyl-1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 90492630
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 97200214
(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 91763764
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 155510142
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone;dihydrochloride
CID 155939898
(4R)-4-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 97200994
1-(cyclooctylmethyl)imidazole
CID 20550238
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
4-(imidazol-1-ylmethyl)-1-methylsulfonylpiperidine
CID 95982272
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606

Frequently Asked Questions

What is the IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (CID 154817637) is [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is N[C@@H]1C[C@@H](C(=O)N2CCC(Cn3ccnc3)CC2)CC[C@H]1O.
What is the InChIKey of [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is NDWDFXFIVTZYNA-RRFJBIMHSA-N. The full InChI is InChI=1S/C16H26N4O2/c17-14-9-13(1-2-15(14)21)16(22)20-6-3-12(4-7-20)10-19-8-5-18-11-19/h5,8,11-15,21H,1-4,6-7,9-10,17H2/t13-,14+,15+/m0/s1.
What are the key properties of [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 154817637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).