1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide

C18H33N4O2+ — CID 7092122

IUPAC1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide
SMILESNC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c19-16(23)18(22-11-5-2-6-12-22)9-13-21(14-10-18)17(24)20-15-7-3-1-4-8-15/h15H,1-14H2,(H2,19,23)(H,20,24)/p+1
InChIKeyLNEFWEVPXMONGI-UHFFFAOYSA-O
MW337.49 g/mol
LogP0.42
Rot. Bonds3

About 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide

1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide (PubChem CID 7092122) has the molecular formula C18H33N4O2+ and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide
PubChem CID7092122
Molecular FormulaC18H33N4O2+
Molecular Weight337.49 g/mol
Exact Mass337.26
IUPAC Name1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide
SMILESNC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H32N4O2/c19-16(23)18(22-11-5-2-6-12-22)9-13-21(14-10-18)17(24)20-15-7-3-1-4-8-15/h15H,1-14H2,(H2,19,23)(H,20,24)/p+1
InChIKeyLNEFWEVPXMONGI-UHFFFAOYSA-O
XLogP0.42
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605548
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
4-(2-amino-2-oxoethyl)-N-cyclohexylpiperazin-4-ium-1-carboxamide
CID 2056603
4-(1-aminocyclopentanecarbonyl)-N-cyclohexylpiperazine-1-carboxamide
CID 119291514
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003
N-cyclopentyl-5-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 72870415
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
(3R)-3-amino-N-cyclopentylpyrrolidine-1-carboxamide
CID 115301653
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
methyl 1-(cyclohexylcarbamoyl)piperidine-4-carboxylate
CID 894690
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide (CID 7092122) is 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide is NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide?
The InChIKey is LNEFWEVPXMONGI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H32N4O2/c19-16(23)18(22-11-5-2-6-12-22)9-13-21(14-10-18)17(24)20-15-7-3-1-4-8-15/h15H,1-14H2,(H2,19,23)(H,20,24)/p+1.
What are the key properties of 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide?
1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide has a molecular weight of 337.49 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-piperidin-1-ium-1-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 7092122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).