cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide

C34H54N6O — CID 157156643

IUPACcis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
SMILESN[C@@H]1CCCC[C@H]1CN1CCCCC1.O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H30N4O.C12H24N2/c27-22(18-8-10-20(11-9-18)26-15-12-23-17-26)24-21-7-3-2-6-19(21)16-25-13-4-1-5-14-25;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h8-12,15,17,19,21H,1-7,13-14,16H2,(H,24,27);11-12H,1-10,13H2/t19-,21+;11-,12+/m00/s1
InChIKeyALWPPJFMZODQLT-CQORWQHRSA-N
MW562.85 g/mol
LogP5.64
Rot. Bonds7

About cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide

cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide (PubChem CID 157156643) has the molecular formula C34H54N6O and a molecular weight of 562.85 g/mol. Its IUPAC name is cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
PubChem CID157156643
Molecular FormulaC34H54N6O
Molecular Weight562.85 g/mol
Exact Mass562.44
IUPAC Namecis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
SMILESN[C@@H]1CCCC[C@H]1CN1CCCCC1.O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H30N4O.C12H24N2/c27-22(18-8-10-20(11-9-18)26-15-12-23-17-26)24-21-7-3-2-6-19(21)16-25-13-4-1-5-14-25;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h8-12,15,17,19,21H,1-7,13-14,16H2,(H,24,27);11-12H,1-10,13H2/t19-,21+;11-,12+/m00/s1
InChIKeyALWPPJFMZODQLT-CQORWQHRSA-N
XLogP5.64
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.85
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]pyridine-3-carboxamide
CID 158320192
cis-(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexan-1-amine;N-[(1R,2S)-2-[[3-(ethoxymethyl)piperidin-1-yl]methyl]cyclohexyl]-4-imidazol-1-ylbenzamide;4-imidazol-1-ylbenzoic acid;hydrochloride
CID 162080390
N-[(1R,2S)-2-[(3-butylpiperidin-1-yl)methyl]cyclohexyl]-4-imidazol-1-ylbenzamide
CID 59007499
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-4-pyrazol-1-ylbenzamide
CID 59007588
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 159696252
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-6-pyrazol-1-ylpyridine-3-carboxamide
CID 59007447
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
6-imidazol-1-yl-N-[2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 69039593
N-[2-(aminomethyl)cyclohexyl]-4-(imidazol-1-ylmethyl)benzamide;dihydrochloride
CID 119612316
4-imidazol-1-yl-N-piperidin-4-ylbenzamide
CID 14664369

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The IUPAC name of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide (CID 157156643) is cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide.
What is the SMILES notation for cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The canonical SMILES for cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide is N[C@@H]1CCCC[C@H]1CN1CCCCC1.O=C(N[C@@H]1CCCC[C@H]1CN1CCCCC1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The InChIKey is ALWPPJFMZODQLT-CQORWQHRSA-N. The full InChI is InChI=1S/C22H30N4O.C12H24N2/c27-22(18-8-10-20(11-9-18)26-15-12-23-17-26)24-21-7-3-2-6-19(21)16-25-13-4-1-5-14-25;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h8-12,15,17,19,21H,1-7,13-14,16H2,(H,24,27);11-12H,1-10,13H2/t19-,21+;11-,12+/m00/s1.
What are the key properties of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide has a molecular weight of 562.85 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-imidazol-1-yl-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide is sourced from PubChem (CID 157156643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).