N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide

C20H32N2O2 — CID 119339713

IUPACN-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCNCC2)c(OCCCC(C)C)c1
InChIInChI=1S/C20H32N2O2/c1-15(2)5-4-12-24-19-13-16(3)6-7-18(19)14-22-20(23)17-8-10-21-11-9-17/h6-7,13,15,17,21H,4-5,8-12,14H2,1-3H3,(H,22,23)
InChIKeyGPZDDEWTYACUQY-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.43
Rot. Bonds8

About N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide

N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119339713) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119339713
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCNCC2)c(OCCCC(C)C)c1
InChIInChI=1S/C20H32N2O2/c1-15(2)5-4-12-24-19-13-16(3)6-7-18(19)14-22-20(23)17-8-10-21-11-9-17/h6-7,13,15,17,21H,4-5,8-12,14H2,1-3H3,(H,22,23)
InChIKeyGPZDDEWTYACUQY-UHFFFAOYSA-N
XLogP3.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-methyl-2-(4-methylpentan-2-yloxy)phenyl]methyl]piperidine-4-carboxamide
CID 119339701
4-[[4-methyl-2-(3-methylbutoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674274
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]acetamide;hydrochloride
CID 119339710
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637313
2-amino-N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795659
N-[[2-(2-ethoxyethoxy)-4-methylphenyl]methyl]piperidine-3-carboxamide
CID 119339437
N-[(2-butan-2-yloxy-4-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119339576
N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119811706
N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811545
N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]-3-piperidin-4-ylbutanamide
CID 119811192
N-[[2-(2-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119320245
N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]morpholine-3-carboxamide
CID 119811606

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide (CID 119339713) is N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCNCC2)c(OCCCC(C)C)c1.
What is the InChIKey of N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is GPZDDEWTYACUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-15(2)5-4-12-24-19-13-16(3)6-7-18(19)14-22-20(23)17-8-10-21-11-9-17/h6-7,13,15,17,21H,4-5,8-12,14H2,1-3H3,(H,22,23).
What are the key properties of N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide?
N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 332.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-methylpentoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119339713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).