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

C32H54N4O2 — CID 159696252

IUPACcis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)cc1.N[C@@H]1CCCC[C@H]1CN1CCCCC1
InChIInChI=1S/C20H30N2O2.C12H24N2/c1-24-18-11-9-16(10-12-18)20(23)21-19-8-4-3-7-17(19)15-22-13-5-2-6-14-22;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h9-12,17,19H,2-8,13-15H2,1H3,(H,21,23);11-12H,1-10,13H2/t17-,19+;11-,12+/m00/s1
InChIKeyMXAWKMPRCWGJGS-YCIVCSFKSA-N
MW526.81 g/mol
LogP5.46
Rot. Bonds7

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

cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide (PubChem CID 159696252) has the molecular formula C32H54N4O2 and a molecular weight of 526.81 g/mol. Its IUPAC name is cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
PubChem CID159696252
Molecular FormulaC32H54N4O2
Molecular Weight526.81 g/mol
Exact Mass526.42
IUPAC Namecis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)cc1.N[C@@H]1CCCC[C@H]1CN1CCCCC1
InChIInChI=1S/C20H30N2O2.C12H24N2/c1-24-18-11-9-16(10-12-18)20(23)21-19-8-4-3-7-17(19)15-22-13-5-2-6-14-22;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h9-12,17,19H,2-8,13-15H2,1H3,(H,21,23);11-12H,1-10,13H2/t17-,19+;11-,12+/m00/s1
InChIKeyMXAWKMPRCWGJGS-YCIVCSFKSA-N
XLogP5.46
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[2-[(4-methylpiperidin-1-yl)methyl]cyclohexyl]benzamide
CID 74340324
4-(2-methoxyethoxy)-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24873264
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
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
N-[2-[(dimethylamino)methyl]cyclohexyl]-4-methoxybenzamide
CID 110279273
N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-3-carboxamide
CID 24871869
N-[(1S,2R)-2-(azepan-1-ylmethyl)cyclohexyl]-4-pyrazol-1-ylbenzamide
CID 59007588
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
3-methyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]thiophene-2-carboxamide
CID 140519163
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
N-[(1R,2S)-2-(methoxymethyl)cyclopentyl]-4-pyrrolidin-1-ylbenzamide
CID 91772007
4-(aminomethyl)-N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]benzamide
CID 59007507

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The IUPAC name of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide (CID 159696252) is cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-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-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The canonical SMILES for cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide is COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2CN2CCCCC2)cc1.N[C@@H]1CCCC[C@H]1CN1CCCCC1.
What is the InChIKey of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
The InChIKey is MXAWKMPRCWGJGS-YCIVCSFKSA-N. The full InChI is InChI=1S/C20H30N2O2.C12H24N2/c1-24-18-11-9-16(10-12-18)20(23)21-19-8-4-3-7-17(19)15-22-13-5-2-6-14-22;13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h9-12,17,19H,2-8,13-15H2,1H3,(H,21,23);11-12H,1-10,13H2/t17-,19+;11-,12+/m00/s1.
What are the key properties of cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide?
cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide has a molecular weight of 526.81 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexan-1-amine;4-methoxy-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide is sourced from PubChem (CID 159696252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).