N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

C23H32N4O — CID 39629575

IUPACN-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C(C)C)cc1
InChIInChI=1S/C23H32N4O/c1-16(2)18-5-7-19(8-6-18)22(17(3)4)26-23(28)20-9-13-27(14-10-20)21-15-24-11-12-25-21/h5-8,11-12,15-17,20,22H,9-10,13-14H2,1-4H3,(H,26,28)/t22-/m0/s1
InChIKeyBUOQTVBMOTUUSF-QFIPXVFZSA-N
MW380.54 g/mol
LogP4.33
Rot. Bonds6

About N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide

N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 39629575) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID39629575
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C(C)C)cc1
InChIInChI=1S/C23H32N4O/c1-16(2)18-5-7-19(8-6-18)22(17(3)4)26-23(28)20-9-13-27(14-10-20)21-15-24-11-12-25-21/h5-8,11-12,15-17,20,22H,9-10,13-14H2,1-4H3,(H,26,28)/t22-/m0/s1
InChIKeyBUOQTVBMOTUUSF-QFIPXVFZSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 39629575) is N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is CC(C)c1ccc([C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C(C)C)cc1.
What is the InChIKey of N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is BUOQTVBMOTUUSF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H32N4O/c1-16(2)18-5-7-19(8-6-18)22(17(3)4)26-23(28)20-9-13-27(14-10-20)21-15-24-11-12-25-21/h5-8,11-12,15-17,20,22H,9-10,13-14H2,1-4H3,(H,26,28)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 39629575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).