(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

C22H30N4O — CID 58665278

IUPAC(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C
InChIInChI=1S/C22H30N4O/c1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27)/t17-/m0/s1
InChIKeyQVDKLVAXDZWTPC-KRWDZBQOSA-N
MW366.51 g/mol
LogP4.43
Rot. Bonds2

About (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide

(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (PubChem CID 58665278) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
PubChem CID58665278
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide
SMILESCc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C
InChIInChI=1S/C22H30N4O/c1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27)/t17-/m0/s1
InChIKeyQVDKLVAXDZWTPC-KRWDZBQOSA-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

N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187574
N-(4-tert-butylphenyl)-4-(3-methyl-2-pyridinyl)-1λ3,4-iodazinane-1-carboxamide
CID 143590862
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
(3R)-N-(4-tert-butylphenyl)-3-methyl-1-(3-methyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 67007688
(2S)-N-(4-tert-butylphenyl)-4-[3-(dimethylamino)-2-pyridinyl]-2-methylpiperazine-1-carboxamide
CID 142660233
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
4-(8-cyanoquinolin-5-yl)-3-methyl-N-(6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 156711867
4-(3-carbamoyl-2-pyridinyl)-3-methylpiperazine-1-carboxamide
CID 173222605
N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430023
N-(4-tert-butylphenyl)-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122251071
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
4-fluoro-4-(3-methyl-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11349537

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide (CID 58665278) is (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H]1C.
What is the InChIKey of (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
The InChIKey is QVDKLVAXDZWTPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-7-6-12-23-20(16)26-14-13-25(15-17(26)2)21(27)24-19-10-8-18(9-11-19)22(3,4)5/h6-12,17H,13-15H2,1-5H3,(H,24,27)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide?
(3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-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 (3S)-N-(4-tert-butylphenyl)-3-methyl-4-(3-methyl-2-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 58665278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).