N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride

C22H37ClN2O — CID 162755830

IUPACN-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCc1ccc(NC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C22H36N2O.ClH/c1-2-3-4-5-6-7-8-9-10-19-11-13-21(14-12-19)24-22(25)20-15-17-23-18-16-20;/h11-14,20,23H,2-10,15-18H2,1H3,(H,24,25);1H
InChIKeyXMYYTOCDRLNLBI-UHFFFAOYSA-N
MW381.00 g/mol
LogP5.73
Rot. Bonds11

About N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride

N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 162755830) has the molecular formula C22H37ClN2O and a molecular weight of 381.00 g/mol. Its IUPAC name is N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
PubChem CID162755830
Molecular FormulaC22H37ClN2O
Molecular Weight381.00 g/mol
Exact Mass380.26
IUPAC NameN-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCc1ccc(NC(=O)C2CCNCC2)cc1.Cl
InChIInChI=1S/C22H36N2O.ClH/c1-2-3-4-5-6-7-8-9-10-19-11-13-21(14-12-19)24-22(25)20-15-17-23-18-16-20;/h11-14,20,23H,2-10,15-18H2,1H3,(H,24,25);1H
InChIKeyXMYYTOCDRLNLBI-UHFFFAOYSA-N
XLogP5.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.00
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 34030665
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
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N-[4-(methylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 119315438
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
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4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
N-[2-(4-acetamidophenyl)ethyl]piperidine-4-carboxamide
CID 119307270
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
N-[4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119268961
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587

Frequently Asked Questions

What is the IUPAC name of N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride (CID 162755830) is N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride is CCCCCCCCCCc1ccc(NC(=O)C2CCNCC2)cc1.Cl.
What is the InChIKey of N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is XMYYTOCDRLNLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O.ClH/c1-2-3-4-5-6-7-8-9-10-19-11-13-21(14-12-19)24-22(25)20-15-17-23-18-16-20;/h11-14,20,23H,2-10,15-18H2,1H3,(H,24,25);1H.
What are the key properties of N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride?
N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 381.00 g/mol, XLogP of 5.73, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-decylphenyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 162755830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).