N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide

C20H31N2O+ — CID 8968845

IUPACN-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(17-9-3-1-4-10-17)21-15-18-11-5-6-12-19(18)16-22-13-7-2-8-14-22/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,21,23)/p+1
InChIKeyZEDJRHFAMRFHGY-UHFFFAOYSA-O
MW315.48 g/mol
LogP2.45
Rot. Bonds5

About N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide

N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide (PubChem CID 8968845) has the molecular formula C20H31N2O+ and a molecular weight of 315.48 g/mol. Its IUPAC name is N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
PubChem CID8968845
Molecular FormulaC20H31N2O+
Molecular Weight315.48 g/mol
Exact Mass315.24
IUPAC NameN-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(17-9-3-1-4-10-17)21-15-18-11-5-6-12-19(18)16-22-13-7-2-8-14-22/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,21,23)/p+1
InChIKeyZEDJRHFAMRFHGY-UHFFFAOYSA-O
XLogP2.45
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-hydroxyphenyl)methyl]cyclopentanecarboxamide
CID 110470991
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810728
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308
N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropanecarboxamide
CID 110902492
2-phenoxy-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8810686
1-[(2-fluorophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 6966365
4-(1,3-dithiolan-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide
CID 8969424
N-[[2-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 62952159
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 18105806
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide
CID 8968889
1-[(2-hydroxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide
CID 7324136
N-benzylcyclopentanecarboxamide
CID 835634

Frequently Asked Questions

What is the IUPAC name of N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide (CID 8968845) is N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide is O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide?
The InChIKey is ZEDJRHFAMRFHGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H30N2O/c23-20(17-9-3-1-4-10-17)21-15-18-11-5-6-12-19(18)16-22-13-7-2-8-14-22/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,21,23)/p+1.
What are the key properties of N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide?
N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide has a molecular weight of 315.48 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 8968845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).