N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide

C16H23ClN2O — CID 154861542

IUPACN-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCC(C)C(C)(C)C1
InChIInChI=1S/C16H23ClN2O/c1-11-9-13(17)5-6-14(11)18-15(20)19-8-7-12(2)16(3,4)10-19/h5-6,9,12H,7-8,10H2,1-4H3,(H,18,20)
InChIKeySGOBDQVFSHXJCD-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.55
Rot. Bonds1

About N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide

N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide (PubChem CID 154861542) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide
PubChem CID154861542
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)N1CCC(C)C(C)(C)C1
InChIInChI=1S/C16H23ClN2O/c1-11-9-13(17)5-6-14(11)18-15(20)19-8-7-12(2)16(3,4)10-19/h5-6,9,12H,7-8,10H2,1-4H3,(H,18,20)
InChIKeySGOBDQVFSHXJCD-UHFFFAOYSA-N
XLogP4.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-chloro-2-methylphenyl)-4-(cyclopropanecarbonyl)piperazine-1-carboxamide
CID 47031993
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-chloro-2-methylphenyl)-4-[(1S,2S)-2-hydroxycyclopentyl]piperazine-1-carboxamide
CID 95299451
N-(4-chloro-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959210
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
N-(4-chloro-2-methylphenyl)-4-hydroxy-4-(methoxymethyl)piperidine-1-carboxamide
CID 136518198
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
1-[(2-bromo-4-chlorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 81281422
N-(4-chloro-2-methylphenyl)-2-ethylpiperidine-1-carboxamide
CID 108990888
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide (CID 154861542) is N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)N1CCC(C)C(C)(C)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide?
The InChIKey is SGOBDQVFSHXJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-9-13(17)5-6-14(11)18-15(20)19-8-7-12(2)16(3,4)10-19/h5-6,9,12H,7-8,10H2,1-4H3,(H,18,20).
What are the key properties of N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide?
N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3,3,4-trimethylpiperidine-1-carboxamide is sourced from PubChem (CID 154861542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).