N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide

C17H24Cl2N2O2 — CID 120627696

IUPACN-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)Cc2ccc(Cl)cc2Cl)CCNCC1
InChIInChI=1S/C17H24Cl2N2O2/c1-12(9-13-3-4-14(18)10-15(13)19)21-16(22)17(11-23-2)5-7-20-8-6-17/h3-4,10,12,20H,5-9,11H2,1-2H3,(H,21,22)
InChIKeyLLGZTXLSARJFMQ-UHFFFAOYSA-N
MW359.30 g/mol
LogP3.06
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120627696) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120627696
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC NameN-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCOCC1(C(=O)NC(C)Cc2ccc(Cl)cc2Cl)CCNCC1
InChIInChI=1S/C17H24Cl2N2O2/c1-12(9-13-3-4-14(18)10-15(13)19)21-16(22)17(11-23-2)5-7-20-8-6-17/h3-4,10,12,20H,5-9,11H2,1-2H3,(H,21,22)
InChIKeyLLGZTXLSARJFMQ-UHFFFAOYSA-N
XLogP3.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617622
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637796
N-[1-(2-bromophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120637795
N-[1-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617790
N-[2-[(2,4-dichlorophenyl)methyl]-3-methylbutyl]-4-methoxypiperidine-4-carboxamide
CID 119780906
N-[1-(2-chloro-4-fluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634609
N-(1-ethylsulfanylpropan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114042076
N-(5,5-dimethylhexan-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120634804
N-[1-(3-fluoro-4-methylphenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120637838
N-[1-(2,4-difluorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617899
N-[1-(2,4-dichlorophenyl)propan-2-yl]-2-methylbutanamide
CID 60619061
N-[1-(2,4-dichlorophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119308681

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120627696) is N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide is COCC1(C(=O)NC(C)Cc2ccc(Cl)cc2Cl)CCNCC1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is LLGZTXLSARJFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c1-12(9-13-3-4-14(18)10-15(13)19)21-16(22)17(11-23-2)5-7-20-8-6-17/h3-4,10,12,20H,5-9,11H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 359.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)propan-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120627696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).