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

C22H34N2O2 — CID 6489658

IUPACN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2CCN(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N2O2/c1-2-26-21-10-8-20(9-11-21)22(25)23-16-18-12-14-24(15-13-18)17-19-6-4-3-5-7-19/h8-11,18-19H,2-7,12-17H2,1H3,(H,23,25)
InChIKeyBISSFFRWVWPNNY-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.11
Rot. Bonds7

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

N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide (PubChem CID 6489658) 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]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide
PubChem CID6489658
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCC2CCN(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C22H34N2O2/c1-2-26-21-10-8-20(9-11-21)22(25)23-16-18-12-14-24(15-13-18)17-19-6-4-3-5-7-19/h8-11,18-19H,2-7,12-17H2,1H3,(H,23,25)
InChIKeyBISSFFRWVWPNNY-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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide?
The IUPAC name of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide (CID 6489658) is N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCC2CCN(CC3CCCCC3)CC2)cc1.
What is the InChIKey of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide?
The InChIKey is BISSFFRWVWPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-2-26-21-10-8-20(9-11-21)22(25)23-16-18-12-14-24(15-13-18)17-19-6-4-3-5-7-19/h8-11,18-19H,2-7,12-17H2,1H3,(H,23,25).
What are the key properties of N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-ethoxybenzamide?
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-4-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]-4-ethoxybenzamide is sourced from PubChem (CID 6489658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).