N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide

C21H32N3O3+ — CID 7411787

IUPACN-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-27-19-9-7-16(8-10-19)21(26)23-18-11-13-24(14-12-18)15-20(25)22-17-5-3-2-4-6-17/h7-10,17-18H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyRRWWCXXTUZNZMF-UHFFFAOYSA-O
MW374.51 g/mol
LogP0.92
Rot. Bonds6

About N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide

N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide (PubChem CID 7411787) has the molecular formula C21H32N3O3+ and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide
PubChem CID7411787
Molecular FormulaC21H32N3O3+
Molecular Weight374.51 g/mol
Exact Mass374.24
IUPAC NameN-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-27-19-9-7-16(8-10-19)21(26)23-18-11-13-24(14-12-18)15-20(25)22-17-5-3-2-4-6-17/h7-10,17-18H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)/p+1
InChIKeyRRWWCXXTUZNZMF-UHFFFAOYSA-O
XLogP0.92
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide with MolForge

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Related Compounds

4-methoxy-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-1-ium-4-yl]benzamide
CID 7411602
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769
N-cyclohexyl-4-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 28587702
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
N-(cyclohexylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2655453
N-cyclohexyl-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 94664243
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
N-cyclohexyl-4-propoxybenzamide
CID 4938429
N-cyclohexyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 7479160
N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide (CID 7411787) is N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide is COc1ccc(C(=O)NC2CC[NH+](CC(=O)NC3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide?
The InChIKey is RRWWCXXTUZNZMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H31N3O3/c1-27-19-9-7-16(8-10-19)21(26)23-18-11-13-24(14-12-18)15-20(25)22-17-5-3-2-4-6-17/h7-10,17-18H,2-6,11-15H2,1H3,(H,22,25)(H,23,26)/p+1.
What are the key properties of N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide?
N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide has a molecular weight of 374.51 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-1-ium-4-yl]-4-methoxybenzamide is sourced from PubChem (CID 7411787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).