N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide

C23H26N2O — CID 151770985

IUPACN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(-c3cccc4c3C=CCC4)cc2)CC1
InChIInChI=1S/C23H26N2O/c1-25-15-13-19(14-16-25)23(26)24-20-11-9-18(10-12-20)22-8-4-6-17-5-2-3-7-21(17)22/h3-4,6-12,19H,2,5,13-16H2,1H3,(H,24,26)
InChIKeyRSOQARIOZPHALF-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.59
Rot. Bonds3

About N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide

N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide (PubChem CID 151770985) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide
PubChem CID151770985
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2ccc(-c3cccc4c3C=CCC4)cc2)CC1
InChIInChI=1S/C23H26N2O/c1-25-15-13-19(14-16-25)23(26)24-20-11-9-18(10-12-20)22-8-4-6-17-5-2-3-7-21(17)22/h3-4,6-12,19H,2,5,13-16H2,1H3,(H,24,26)
InChIKeyRSOQARIOZPHALF-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide
CID 150439453
N-[4-(2-chloro-5-methylphenyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 90128549
N-(4-acetylphenyl)-1-methylpiperidine-4-carboxamide
CID 59145520
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859688
(3R)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338002
(3S)-1-methyl-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 95338001
2-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]ethylcarbamic acid
CID 166791824
1-(cyclopropanecarbonyl)-N-(4-phenylphenyl)piperidine-4-carboxamide
CID 51155668
N-[3-(ethylaminomethyl)phenyl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 119438632
1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 25493262
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide (CID 151770985) is N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2ccc(-c3cccc4c3C=CCC4)cc2)CC1.
What is the InChIKey of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is RSOQARIOZPHALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-25-15-13-19(14-16-25)23(26)24-20-11-9-18(10-12-20)22-8-4-6-17-5-2-3-7-21(17)22/h3-4,6-12,19H,2,5,13-16H2,1H3,(H,24,26).
What are the key properties of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide?
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 151770985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).