(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid

C18H31N2O5P — CID 66615074

IUPAC(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
SMILESCCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.O=P(O)(O)O
InChIInChI=1S/C18H28N2O.H3O4P/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;1-5(2,3)4/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);(H3,1,2,3,4)/t16-;/m0./s1
InChIKeyIZVSZWZWKSLTOT-NTISSMGPSA-N
MW386.43 g/mol
LogP2.97
Rot. Bonds5

About (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid

(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid (PubChem CID 66615074) has the molecular formula C18H31N2O5P and a molecular weight of 386.43 g/mol. Its IUPAC name is (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid.

Molecular Properties

Compound Name(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
PubChem CID66615074
Molecular FormulaC18H31N2O5P
Molecular Weight386.43 g/mol
Exact Mass386.20
IUPAC Name(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
SMILESCCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.O=P(O)(O)O
InChIInChI=1S/C18H28N2O.H3O4P/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;1-5(2,3)4/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);(H3,1,2,3,4)/t16-;/m0./s1
InChIKeyIZVSZWZWKSLTOT-NTISSMGPSA-N
XLogP2.97
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
1-butyl-N-[2-(fluoromethyl)-6-methylphenyl]piperidine-2-carboxamide
CID 122503909
N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 174853104
(2S)-N-(2,6-dimethylphenyl)-1-(4-fluorobutyl)piperidine-2-carboxamide;hydrochloride
CID 156775866
1-(3-chloropropyl)-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852348
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222
(2S)-N-(2,6-dimethylphenyl)-1-(2-oxopropyl)piperidine-2-carboxamide
CID 151727892

Frequently Asked Questions

What is the IUPAC name of (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid?
The IUPAC name of (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid (CID 66615074) is (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid.
What is the SMILES notation for (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid?
The canonical SMILES for (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid is CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C.O=P(O)(O)O.
What is the InChIKey of (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid?
The InChIKey is IZVSZWZWKSLTOT-NTISSMGPSA-N. The full InChI is InChI=1S/C18H28N2O.H3O4P/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;1-5(2,3)4/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);(H3,1,2,3,4)/t16-;/m0./s1.
What are the key properties of (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid?
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid has a molecular weight of 386.43 g/mol, XLogP of 2.97, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid is sourced from PubChem (CID 66615074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).