N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride

C18H29ClN2O3 — CID 119284599

IUPACN-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCCOc1ccc(CNC(=O)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-4-10-23-16-8-7-14(11-17(16)22-2)12-20-18(21)15-6-5-9-19-13-15;/h7-8,11,15,19H,3-6,9-10,12-13H2,1-2H3,(H,20,21);1H
InChIKeyBERNXSGWEPYDGN-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.91
Rot. Bonds8

About N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride

N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119284599) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119284599
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCCOc1ccc(CNC(=O)C2CCCNC2)cc1OC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-3-4-10-23-16-8-7-14(11-17(16)22-2)12-20-18(21)15-6-5-9-19-13-15;/h7-8,11,15,19H,3-6,9-10,12-13H2,1-2H3,(H,20,21);1H
InChIKeyBERNXSGWEPYDGN-UHFFFAOYSA-N
XLogP2.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
(3S)-N-[(2,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 81140138
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]piperidine-3-carboxamide
CID 119285299
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119312699
1-[(4-butoxy-3-methoxyphenyl)methyl]-3-cyclohexylurea
CID 46762304
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(2,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 63362624
N-[2-(4-butoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714749
2-[(3-butoxy-4-methoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22686669
N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
CID 91518240
9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985722

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride (CID 119284599) is N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride is CCCCOc1ccc(CNC(=O)C2CCCNC2)cc1OC.Cl.
What is the InChIKey of N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is BERNXSGWEPYDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-3-4-10-23-16-8-7-14(11-17(16)22-2)12-20-18(21)15-6-5-9-19-13-15;/h7-8,11,15,19H,3-6,9-10,12-13H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride?
N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119284599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).