(2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

C22H30N4O — CID 142110725

IUPAC(2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C)C[C@H]2C)cc1
InChIInChI=1S/C22H30N4O/c1-5-16(2)19-8-10-20(11-9-19)24-22(27)26-14-13-25(15-18(26)4)21-17(3)7-6-12-23-21/h6-12,16,18H,5,13-15H2,1-4H3,(H,24,27)/t16?,18-/m1/s1
InChIKeyREXQYDBQZKZGCP-UHUGOGIASA-N
MW366.51 g/mol
LogP4.65
Rot. Bonds4

About (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

(2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 142110725) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID142110725
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C)C[C@H]2C)cc1
InChIInChI=1S/C22H30N4O/c1-5-16(2)19-8-10-20(11-9-19)24-22(27)26-14-13-25(15-18(26)4)21-17(3)7-6-12-23-21/h6-12,16,18H,5,13-15H2,1-4H3,(H,24,27)/t16?,18-/m1/s1
InChIKeyREXQYDBQZKZGCP-UHUGOGIASA-N
XLogP4.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-ylphenyl)-4-(3-chloro-2-pyridinyl)-2-methylpiperazine-1-carboxamide
CID 20720906
2-methyl-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430396
(2S)-N-(4-tert-butylphenyl)-4-[3-(dimethylamino)-2-pyridinyl]-2-methylpiperazine-1-carboxamide
CID 142660233
4-[3-chloro-5-(1-hydroxypropan-2-yl)-2-pyridinyl]-2-methyl-N-(4-methylphenyl)piperazine-1-carboxamide
CID 90205997
(2R)-4-(3-chloro-2-pyridinyl)-2-methyl-N-(4-propan-2-ylphenyl)piperazine-1-carbothioamide
CID 10172819
(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)-2-methyl-4-(6-methylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 157444836
N-(4-butan-2-ylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159063682
N-[4-(4-hydroxyoxan-4-yl)phenyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 22727570
4-(3-chloro-2-pyridinyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methylpiperazine-1-carboxamide
CID 142919023
(3S)-N-[4-[(2R)-butan-2-yl]phenyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7206249
4-(3-chloro-2-pyridinyl)-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpiperazine-1-carboxamide
CID 73081832

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 142110725) is (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is CCC(C)c1ccc(NC(=O)N2CCN(c3ncccc3C)C[C@H]2C)cc1.
What is the InChIKey of (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is REXQYDBQZKZGCP-UHUGOGIASA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-16(2)19-8-10-20(11-9-19)24-22(27)26-14-13-25(15-18(26)4)21-17(3)7-6-12-23-21/h6-12,16,18H,5,13-15H2,1-4H3,(H,24,27)/t16?,18-/m1/s1.
What are the key properties of (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
(2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-butan-2-ylphenyl)-2-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 142110725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).