N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide

C22H30N4O — CID 20720897

IUPACN-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)C(C)C2)n1
InChIInChI=1S/C22H30N4O/c1-16-7-6-8-20(23-16)25-13-14-26(17(2)15-25)21(27)24-19-11-9-18(10-12-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27)
InChIKeyMNJJQAWTCBEQSJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.43
Rot. Bonds2

About N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide

N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 20720897) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID20720897
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)C(C)C2)n1
InChIInChI=1S/C22H30N4O/c1-16-7-6-8-20(23-16)25-13-14-26(17(2)15-25)21(27)24-19-11-9-18(10-12-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27)
InChIKeyMNJJQAWTCBEQSJ-UHFFFAOYSA-N
XLogP4.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 95788899
(2S)-N-(4-tert-butylphenyl)-4-[3-(dimethylamino)-2-pyridinyl]-2-methylpiperazine-1-carboxamide
CID 142660233
(2S)-2-methyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 157444836
(2S)-2-methyl-4-(6-methyl-2-pyridinyl)-1-methylsulfonylpiperazine
CID 86816155
(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 86785861
2-methyl-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430396
(2R)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide;methane
CID 160959250
(2S)-4-[6-chloro-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 93101096
tert-butyl (2R)-4-(6-bromo-2-pyridinyl)-2-methylpiperazine-1-carboxylate
CID 86329596
2-methyl-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 127513725
(2R)-2-methyl-N-(4-methylphenyl)-4-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazine-1-carboxamide
CID 7495143
methyl 3-methoxy-4-[1-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzoate
CID 143152172

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 20720897) is N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)C(C)C2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is MNJJQAWTCBEQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-7-6-8-20(23-16)25-13-14-26(17(2)15-25)21(27)24-19-11-9-18(10-12-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27).
What are the key properties of N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide?
N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-methyl-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 20720897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).