N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide

C22H34N2O2 — CID 3232201

IUPACN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C22H34N2O2/c1-2-26-21-11-7-6-10-20(21)22(25)23-16-18-12-14-24(15-13-18)17-19-8-4-3-5-9-19/h6-7,10-11,18-19H,2-5,8-9,12-17H2,1H3,(H,23,25)
InChIKeyAQJFYRQGWOXXHV-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.11
Rot. Bonds7

About N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide

N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide (PubChem CID 3232201) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
PubChem CID3232201
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C22H34N2O2/c1-2-26-21-11-7-6-10-20(21)22(25)23-16-18-12-14-24(15-13-18)17-19-8-4-3-5-9-19/h6-7,10-11,18-19H,2-5,8-9,12-17H2,1H3,(H,23,25)
InChIKeyAQJFYRQGWOXXHV-UHFFFAOYSA-N
XLogP4.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-ethoxybenzamide;hydrochloride
CID 119620937
2-ethoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521364
2-ethoxy-N-[[(3R)-thiolan-3-yl]methyl]benzamide
CID 125139619
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
CID 113275455
2-ethoxy-N-[[(2R)-oxiran-2-yl]methyl]benzamide
CID 97180721
2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
CID 47920766
N-[[(3R,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-2-ethoxybenzamide
CID 94822684
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
2-cyclopentyl-1-(2-ethoxyphenyl)ethanone
CID 115533350
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide?
The IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide (CID 3232201) is N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide?
The canonical SMILES for N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC1CCN(CC2CCCCC2)CC1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide?
The InChIKey is AQJFYRQGWOXXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-2-26-21-11-7-6-10-20(21)22(25)23-16-18-12-14-24(15-13-18)17-19-8-4-3-5-9-19/h6-7,10-11,18-19H,2-5,8-9,12-17H2,1H3,(H,23,25).
What are the key properties of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide?
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide has a molecular weight of 358.53 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide is sourced from PubChem (CID 3232201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).