N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide

C19H30N2O — CID 46948570

IUPACN-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide
SMILESCN1CCCCC1(C)C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-18(2,3)16-10-8-15(9-11-16)14-20-17(22)19(4)12-6-7-13-21(19)5/h8-11H,6-7,12-14H2,1-5H3,(H,20,22)
InChIKeyWXOZFWKVFZJOIU-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.47
Rot. Bonds3

About N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide

N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide (PubChem CID 46948570) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide
PubChem CID46948570
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide
SMILESCN1CCCCC1(C)C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H30N2O/c1-18(2,3)16-10-8-15(9-11-16)14-20-17(22)19(4)12-6-7-13-21(19)5/h8-11H,6-7,12-14H2,1-5H3,(H,20,22)
InChIKeyWXOZFWKVFZJOIU-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
(3S)-1-(4-tert-butylphenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 93071366
N-[[4-(hydroxymethyl)phenyl]methyl]-1-methylcyclopentane-1-carboxamide
CID 107231871
1-[(4-bromophenyl)methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597873
1-amino-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119835798
N-[4-(dimethylamino)phenyl]-1,2-dimethylpiperidine-2-carboxamide
CID 146152659
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
(2S)-N-[(4-methoxyphenyl)methyl]-2-methyl-1-pyridin-4-ylpyrrolidine-2-carboxamide
CID 10881916
3-benzyl-1-[(4-tert-butylphenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)urea
CID 42702545
tert-butyl (3S)-3-[(2R)-2-methyl-2-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate;chromium
CID 142545157
3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide (CID 46948570) is N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide is CN1CCCCC1(C)C(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide?
The InChIKey is WXOZFWKVFZJOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-18(2,3)16-10-8-15(9-11-16)14-20-17(22)19(4)12-6-7-13-21(19)5/h8-11H,6-7,12-14H2,1-5H3,(H,20,22).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide?
N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide has a molecular weight of 302.46 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-1,2-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 46948570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).