N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide

C19H28Cl2N2O2 — CID 119780906

IUPACN-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(Cc2ccc(Cl)cc2Cl)C(C)C)CCNCC1
InChIInChI=1S/C19H28Cl2N2O2/c1-13(2)15(10-14-4-5-16(20)11-17(14)21)12-23-18(24)19(25-3)6-8-22-9-7-19/h4-5,11,13,15,22H,6-10,12H2,1-3H3,(H,23,24)
InChIKeyPFNOFGMRQBQHEV-UHFFFAOYSA-N
MW387.35 g/mol
LogP3.69
Rot. Bonds7

About N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119780906) has the molecular formula C19H28Cl2N2O2 and a molecular weight of 387.35 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119780906
Molecular FormulaC19H28Cl2N2O2
Molecular Weight387.35 g/mol
Exact Mass386.15
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(Cc2ccc(Cl)cc2Cl)C(C)C)CCNCC1
InChIInChI=1S/C19H28Cl2N2O2/c1-13(2)15(10-14-4-5-16(20)11-17(14)21)12-23-18(24)19(25-3)6-8-22-9-7-19/h4-5,11,13,15,22H,6-10,12H2,1-3H3,(H,23,24)
InChIKeyPFNOFGMRQBQHEV-UHFFFAOYSA-N
XLogP3.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119683871
N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120627696
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[(4-bromo-2-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119753686
4-methoxy-N-(2-methylpropyl)piperidine-4-carboxamide
CID 119673792
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
4-methoxy-N-[(4-methyl-2-methylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119811691
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119769965
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
N-[2-[(2-chlorobenzoyl)amino]ethyl]-4-methoxypiperidine-4-carboxamide
CID 119703580
N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119751860

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide (CID 119780906) is N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCC(Cc2ccc(Cl)cc2Cl)C(C)C)CCNCC1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is PFNOFGMRQBQHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N2O2/c1-13(2)15(10-14-4-5-16(20)11-17(14)21)12-23-18(24)19(25-3)6-8-22-9-7-19/h4-5,11,13,15,22H,6-10,12H2,1-3H3,(H,23,24).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 387.35 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119780906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).